MiMeDB: Showing metabocard for Lanosterin (MMDBc0032951)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:28:36 UTC

Update Date

2022-08-31 21:49:00 UTC

Metabolite ID

MMDBc0032951

Metabolite Identification

Common Name

Lanosterin

Description

Lanosterin, also known as botalan base 138 or lanosterol, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, lanosterin is considered to be a sterol lipid molecule. Lanosterin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309042000202D          

 33 36  0  0  0  0            999 V2000
10000.0007 9999.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.000710001.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.861310000.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6154 9997.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6789 9997.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7179 9998.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.147010000.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4325 9999.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4325 9998.9087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.1470 9998.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8615 9998.9087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.8615 9999.7338    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.574310000.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5743 9998.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2888 9998.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2888 9999.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.287610001.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.573110000.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.002210000.9813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.002110000.1563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.7868 9999.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.271610000.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.786810001.2363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.786810002.0613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.502410002.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.073210002.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.216010002.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.929510002.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.647210002.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.360810002.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.647210001.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.502410001.6467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8616 9998.0837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10  4  1  0  0  0  0
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  9  6  1  1  0  0  0
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 12  3  1  1  0  0  0
 11 14  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 19  1  0  0  0  0
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 20  1  1  6  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 19  2  1  1  0  0  0
 11 33  1  6  0  0  0
M  END

HMDB0001251
     RDKit          3D
Lanosterol
 81 84  0  0  0  0  0  0  0  0999 V2000
    7.4839    0.6422   -1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308   -0.4728   -0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9818   -1.0395   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501   -0.9166    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990   -0.3382   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    0.2292    1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462    0.8143    0.7902 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4188    1.9110   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299   -0.2076    0.4138 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0872   -1.2318    1.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -1.2614    1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -0.9448    0.6140 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.9337    0.3108   -1.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8501    0.2655    0.1837 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4736    1.4677    0.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2891    0.4485   -0.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.7100    0.0515   -1.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1424   -0.1795   -2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6661    1.2982   -1.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1975   -0.0525   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988    2.3663    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9947    1.6243    1.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 30 78  1  0
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 31 80  1  0
 31 81  1  0
M  END


  Mrv1652309042000202D          

 33 36  0  0  0  0            999 V2000
10000.0007 9999.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.000710001.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 9996.6154 9997.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6789 9997.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7179 9998.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.147010000.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4325 9999.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4325 9998.9087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.1470 9998.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8615 9998.9087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
 20  1  1  6  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 19  2  1  1  0  0  0
 11 33  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032951

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1

> <INCHI_KEY>
CAHGCLMLTWQZNJ-BQNIITSRSA-N

> <FORMULA>
C30H50O

> <MOLECULAR_WEIGHT>
426.7174

> <EXACT_MASS>
426.386166222

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
55.05559169383237

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol

> <ALOGPS_LOGP>
7.72

> <JCHEM_LOGP>
7.706672521

> <ALOGPS_LOGS>
-6.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.553786825962863

> <JCHEM_PKA_STRONGEST_BASIC>
-0.806973642323843

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
134.5447

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.76e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HMDB0001251
     RDKit          3D
Lanosterol
 81 84  0  0  0  0  0  0  0  0999 V2000
    7.4839    0.6422   -1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308   -0.4728   -0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9818   -1.0395   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501   -0.9166    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990   -0.3382   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    0.2292    1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462    0.8143    0.7902 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4188    1.9110   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299   -0.2076    0.4138 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0872   -1.2318    1.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -1.2614    1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -0.9448    0.6140 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1292   -2.0891   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3934   -0.4525    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    0.0766   -0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337    0.3108   -1.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896    0.5097   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501    0.2655    0.1837 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4736    1.4677    0.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2891    0.4485   -0.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3703    1.9322   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7100    0.0515   -1.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1424   -0.1795   -2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0697    0.0160   -1.0924 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6661    1.2982   -1.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5378   -0.2471    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391    0.8738    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1347   -1.5290    0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599   -0.3683    0.3670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5970   -0.1525    1.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1541   -0.5577    1.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7793    0.3175   -2.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    1.5542   -1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    0.9077   -2.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7273   -0.2321   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3429   -1.4287   -1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0020   -1.8356    0.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6243   -1.7301    0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5541   -1.0951   -0.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190    0.4823   -0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6509   -0.4584    1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2722    1.0957    1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    1.3041    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262    2.8615    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    1.6302   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    2.2294   -0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -0.6694   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045   -2.2334    1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682   -1.1009    2.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673   -2.2602    2.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262   -0.5326    2.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -3.0012    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762   -1.9382   -1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696   -2.3779   -0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848   -0.5749   -2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3385    1.1595   -2.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320    1.5941   -1.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975   -0.0525   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988    2.3663    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9947    1.6243    1.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143    1.4836    1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204    2.3895   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1834    2.4366   -0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3371    2.1417    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954   -0.8555   -2.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300    0.8407   -2.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5173    0.4686   -3.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2808   -1.2237   -2.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9532   -0.6769   -1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4413    1.6935   -2.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1604    0.8544    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8627    0.6402    2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7148    1.8592    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1849   -1.5798    0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1473   -1.4279    1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5895   -2.4241    0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8024   -1.4467    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2053   -0.8815    2.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330    0.8354    2.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279    0.0371    2.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.6287    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
 15 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 18  9  1  0
 29 20  1  0
 18 12  1  0
 31 14  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  7 43  1  1
  8 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  6
 10 48  1  0
 10 49  1  0
 11 50  1  0
 11 51  1  0
 13 52  1  0
 13 53  1  0
 13 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 19 59  1  0
 19 60  1  0
 19 61  1  0
 21 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 24 69  1  6
 25 70  1  0
 27 71  1  0
 27 72  1  0
 27 73  1  0
 28 74  1  0
 28 75  1  0
 28 76  1  0
 29 77  1  6
 30 78  1  0
 30 79  1  0
 31 80  1  0
 31 81  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8666.6688665.410   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8666.6688670.046   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8662.6748667.718   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8660.3498662.664   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8662.3348662.664   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8658.6738663.849   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8661.3418666.940   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8660.0078666.170   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8660.0078664.630   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8661.3418663.860   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8662.6758664.630   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8662.6758666.170   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8664.0058666.942   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8664.0058663.862   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8665.3398664.632   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8665.3398666.172   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8665.3378669.268   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8664.0038668.498   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8666.6718668.498   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8666.6718666.958   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8668.1358666.483   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8669.0408667.728   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8668.1358668.974   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8668.1358670.514   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8669.4718671.280   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8666.8038671.280   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8670.8038670.514   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8672.1358671.280   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8673.4758670.514   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8674.8078671.280   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8673.4758668.974   0.000  0.00  0.00           C+0
HETATM   32  H   UNK     0    8669.4718669.741   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0    8662.6758663.090   0.000  0.00  0.00           H+0
CONECT    1   20                                                            
CONECT    2   19                                                            
CONECT    3   12                                                            
CONECT    4   10                                                            
CONECT    5   10                                                            
CONECT    6    9                                                            
CONECT    7    8   12                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10    6                                                  
CONECT   10    9   11    4    5                                             
CONECT   11   10   12   14   33                                             
CONECT   12    7   11   13    3                                             
CONECT   13   16   18   12                                                  
CONECT   14   15   11                                                       
CONECT   15   14   16                                                       
CONECT   16   13   15   20                                                  
CONECT   17   18   19                                                       
CONECT   18   17   13                                                       
CONECT   19   20   23   17    2                                             
CONECT   20   19   21    1   16                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   24   32   19   22                                             
CONECT   24   23   25   26                                                  
CONECT   25   24   27                                                       
CONECT   26   24                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   23                                                            
CONECT   33   11                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0001251
HETATM    1  C1  UNL     1       7.484   0.642  -1.606  1.00  0.00           C  
HETATM    2  C2  UNL     1       7.631  -0.473  -0.633  1.00  0.00           C  
HETATM    3  C3  UNL     1       8.982  -1.040  -0.419  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.550  -0.917   0.005  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.199  -0.338  -0.219  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.614   0.229   1.029  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.246   0.814   0.790  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.419   1.911  -0.239  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.230  -0.208   0.414  1.00  0.00           C  
HETATM   10  C10 UNL     1       2.087  -1.232   1.497  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.631  -1.261   1.915  1.00  0.00           C  
HETATM   12  C12 UNL     1      -0.007  -0.945   0.614  1.00  0.00           C  
HETATM   13  C13 UNL     1       0.129  -2.089  -0.323  1.00  0.00           C  
HETATM   14  C14 UNL     1      -1.393  -0.453   0.689  1.00  0.00           C  
HETATM   15  C15 UNL     1      -1.845   0.077  -0.461  1.00  0.00           C  
HETATM   16  C16 UNL     1      -0.934   0.311  -1.609  1.00  0.00           C  
HETATM   17  C17 UNL     1       0.490   0.510  -1.250  1.00  0.00           C  
HETATM   18  C18 UNL     1       0.850   0.266   0.184  1.00  0.00           C  
HETATM   19  C19 UNL     1       0.474   1.468   0.977  1.00  0.00           C  
HETATM   20  C20 UNL     1      -3.289   0.448  -0.625  1.00  0.00           C  
HETATM   21  C21 UNL     1      -3.370   1.932  -0.375  1.00  0.00           C  
HETATM   22  C22 UNL     1      -3.710   0.051  -1.997  1.00  0.00           C  
HETATM   23  C23 UNL     1      -5.142  -0.179  -2.225  1.00  0.00           C  
HETATM   24  C24 UNL     1      -6.070   0.016  -1.092  1.00  0.00           C  
HETATM   25  O1  UNL     1      -6.666   1.298  -1.184  1.00  0.00           O  
HETATM   26  C25 UNL     1      -5.538  -0.247   0.261  1.00  0.00           C  
HETATM   27  C26 UNL     1      -6.039   0.874   1.184  1.00  0.00           C  
HETATM   28  C27 UNL     1      -6.135  -1.529   0.864  1.00  0.00           C  
HETATM   29  C28 UNL     1      -4.060  -0.368   0.367  1.00  0.00           C  
HETATM   30  C29 UNL     1      -3.597  -0.152   1.800  1.00  0.00           C  
HETATM   31  C30 UNL     1      -2.154  -0.558   1.929  1.00  0.00           C  
HETATM   32  H1  UNL     1       6.779   0.317  -2.391  1.00  0.00           H  
HETATM   33  H2  UNL     1       7.056   1.554  -1.143  1.00  0.00           H  
HETATM   34  H3  UNL     1       8.428   0.908  -2.095  1.00  0.00           H  
HETATM   35  H4  UNL     1       9.727  -0.232  -0.161  1.00  0.00           H  
HETATM   36  H5  UNL     1       9.343  -1.429  -1.414  1.00  0.00           H  
HETATM   37  H6  UNL     1       9.002  -1.836   0.342  1.00  0.00           H  
HETATM   38  H7  UNL     1       6.624  -1.730   0.722  1.00  0.00           H  
HETATM   39  H8  UNL     1       4.554  -1.095  -0.721  1.00  0.00           H  
HETATM   40  H9  UNL     1       5.319   0.482  -0.956  1.00  0.00           H  
HETATM   41  H10 UNL     1       4.651  -0.458   1.896  1.00  0.00           H  
HETATM   42  H11 UNL     1       5.272   1.096   1.325  1.00  0.00           H  
HETATM   43  H12 UNL     1       2.982   1.304   1.774  1.00  0.00           H  
HETATM   44  H13 UNL     1       2.926   2.861   0.125  1.00  0.00           H  
HETATM   45  H14 UNL     1       3.118   1.630  -1.244  1.00  0.00           H  
HETATM   46  H15 UNL     1       4.502   2.229  -0.322  1.00  0.00           H  
HETATM   47  H16 UNL     1       2.581  -0.669  -0.555  1.00  0.00           H  
HETATM   48  H17 UNL     1       2.305  -2.233   1.048  1.00  0.00           H  
HETATM   49  H18 UNL     1       2.768  -1.101   2.346  1.00  0.00           H  
HETATM   50  H19 UNL     1       0.367  -2.260   2.320  1.00  0.00           H  
HETATM   51  H20 UNL     1       0.426  -0.533   2.721  1.00  0.00           H  
HETATM   52  H21 UNL     1       0.479  -3.001   0.239  1.00  0.00           H  
HETATM   53  H22 UNL     1       0.876  -1.938  -1.128  1.00  0.00           H  
HETATM   54  H23 UNL     1      -0.870  -2.378  -0.726  1.00  0.00           H  
HETATM   55  H24 UNL     1      -0.985  -0.575  -2.309  1.00  0.00           H  
HETATM   56  H25 UNL     1      -1.339   1.159  -2.233  1.00  0.00           H  
HETATM   57  H26 UNL     1       0.732   1.594  -1.455  1.00  0.00           H  
HETATM   58  H27 UNL     1       1.198  -0.052  -1.910  1.00  0.00           H  
HETATM   59  H28 UNL     1       0.599   2.366   0.303  1.00  0.00           H  
HETATM   60  H29 UNL     1       0.995   1.624   1.917  1.00  0.00           H  
HETATM   61  H30 UNL     1      -0.614   1.484   1.213  1.00  0.00           H  
HETATM   62  H31 UNL     1      -2.420   2.389  -0.787  1.00  0.00           H  
HETATM   63  H32 UNL     1      -4.183   2.437  -0.904  1.00  0.00           H  
HETATM   64  H33 UNL     1      -3.337   2.142   0.707  1.00  0.00           H  
HETATM   65  H34 UNL     1      -3.095  -0.856  -2.280  1.00  0.00           H  
HETATM   66  H35 UNL     1      -3.330   0.841  -2.712  1.00  0.00           H  
HETATM   67  H36 UNL     1      -5.517   0.469  -3.076  1.00  0.00           H  
HETATM   68  H37 UNL     1      -5.281  -1.224  -2.641  1.00  0.00           H  
HETATM   69  H38 UNL     1      -6.953  -0.677  -1.245  1.00  0.00           H  
HETATM   70  H39 UNL     1      -6.441   1.693  -2.059  1.00  0.00           H  
HETATM   71  H40 UNL     1      -7.160   0.854   1.052  1.00  0.00           H  
HETATM   72  H41 UNL     1      -5.863   0.640   2.243  1.00  0.00           H  
HETATM   73  H42 UNL     1      -5.715   1.859   0.856  1.00  0.00           H  
HETATM   74  H43 UNL     1      -7.185  -1.580   0.550  1.00  0.00           H  
HETATM   75  H44 UNL     1      -6.147  -1.428   1.979  1.00  0.00           H  
HETATM   76  H45 UNL     1      -5.590  -2.424   0.534  1.00  0.00           H  
HETATM   77  H46 UNL     1      -3.802  -1.447   0.142  1.00  0.00           H  
HETATM   78  H47 UNL     1      -4.205  -0.882   2.412  1.00  0.00           H  
HETATM   79  H48 UNL     1      -3.833   0.835   2.191  1.00  0.00           H  
HETATM   80  H49 UNL     1      -1.728   0.037   2.774  1.00  0.00           H  
HETATM   81  H50 UNL     1      -2.081  -1.629   2.281  1.00  0.00           H  
CONECT    1    2   32   33   34
CONECT    2    3    4    4
CONECT    3   35   36   37
CONECT    4    5   38
CONECT    5    6   39   40
CONECT    6    7   41   42
CONECT    7    8    9   43
CONECT    8   44   45   46
CONECT    9   10   18   47
CONECT   10   11   48   49
CONECT   11   12   50   51
CONECT   12   13   14   18
CONECT   13   52   53   54
CONECT   14   15   15   31
CONECT   15   16   20
CONECT   16   17   55   56
CONECT   17   18   57   58
CONECT   18   19
CONECT   19   59   60   61
CONECT   20   21   22   29
CONECT   21   62   63   64
CONECT   22   23   65   66
CONECT   23   24   67   68
CONECT   24   25   26   69
CONECT   25   70
CONECT   26   27   28   29
CONECT   27   71   72   73
CONECT   28   74   75   76
CONECT   29   30   77
CONECT   30   31   78   79
CONECT   31   80   81
END

HMDB0001251
     RDKit          3D
Lanosterol
 81 84  0  0  0  0  0  0  0  0999 V2000
    7.4839    0.6422   -1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308   -0.4728   -0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9818   -1.0395   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501   -0.9166    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990   -0.3382   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    0.2292    1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462    0.8143    0.7902 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4188    1.9110   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299   -0.2076    0.4138 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0872   -1.2318    1.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -1.2614    1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -0.9448    0.6140 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1292   -2.0891   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3934   -0.4525    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    0.0766   -0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337    0.3108   -1.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896    0.5097   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501    0.2655    0.1837 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4736    1.4677    0.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2891    0.4485   -0.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3703    1.9322   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7100    0.0515   -1.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1424   -0.1795   -2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0697    0.0160   -1.0924 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6661    1.2982   -1.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5378   -0.2471    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391    0.8738    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1347   -1.5290    0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599   -0.3683    0.3670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5970   -0.1525    1.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1541   -0.5577    1.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7793    0.3175   -2.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    1.5542   -1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    0.9077   -2.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7273   -0.2321   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3429   -1.4287   -1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0020   -1.8356    0.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6243   -1.7301    0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5541   -1.0951   -0.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190    0.4823   -0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6509   -0.4584    1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2722    1.0957    1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    1.3041    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262    2.8615    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    1.6302   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    2.2294   -0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -0.6694   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045   -2.2334    1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682   -1.1009    2.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673   -2.2602    2.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262   -0.5326    2.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -3.0012    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762   -1.9382   -1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696   -2.3779   -0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848   -0.5749   -2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3385    1.1595   -2.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320    1.5941   -1.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975   -0.0525   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988    2.3663    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9947    1.6243    1.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143    1.4836    1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204    2.3895   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1834    2.4366   -0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3371    2.1417    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954   -0.8555   -2.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300    0.8407   -2.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5173    0.4686   -3.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2808   -1.2237   -2.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9532   -0.6769   -1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4413    1.6935   -2.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1604    0.8544    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8627    0.6402    2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7148    1.8592    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1849   -1.5798    0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1473   -1.4279    1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5895   -2.4241    0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8024   -1.4467    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2053   -0.8815    2.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330    0.8354    2.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279    0.0371    2.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.6287    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
 15 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 18  9  1  0
 29 20  1  0
 18 12  1  0
 31 14  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  7 43  1  1
  8 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  6
 10 48  1  0
 10 49  1  0
 11 50  1  0
 11 51  1  0
 13 52  1  0
 13 53  1  0
 13 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 19 59  1  0
 19 60  1  0
 19 61  1  0
 21 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 24 69  1  6
 25 70  1  0
 27 71  1  0
 27 72  1  0
 27 73  1  0
 28 74  1  0
 28 75  1  0
 28 76  1  0
 29 77  1  6
 30 78  1  0
 30 79  1  0
 31 80  1  0
 31 81  1  0
M  END

Synonyms

Value	Source
(3beta)-Lanosta-8,24-dien-3-ol	ChEBI
(3beta,5alpha)-4,4,14-Trimethylcholesta-8,24-dien-3-ol	ChEBI
4,4',14alpha-Trimethyl-5alpha-cholesta-8,24-dien-3beta-ol	ChEBI
(3b)-Lanosta-8,24-dien-3-ol	Generator
(3β)-Lanosta-8,24-dien-3-ol	Generator
(3b,5a)-4,4,14-Trimethylcholesta-8,24-dien-3-ol	Generator
(3β,5α)-4,4,14-Trimethylcholesta-8,24-dien-3-ol	Generator
4,4',14a-Trimethyl-5a-cholesta-8,24-dien-3b-ol	Generator
4,4',14α-Trimethyl-5α-cholesta-8,24-dien-3β-ol	Generator
(3 beta)-Lanosta-8,24-dien-3-ol	HMDB
(3alpha)-4,4,14-Trimethyl-cholesta-8,24-dien-3-ol	HMDB
(3beta,5alpha)-4,4,14-Trimethyl-cholesta-8,24-dien-3-ol	HMDB
Botalan base 138	HMDB
Lanosta-8,24-dien-3-ol	HMDB
Lanosta-8,24-dien-3beta-ol	HMDB
Lanosta-8,24-dienol	HMDB
Lanosterol	HMDB
Lanster	HMDB
4,4,14 alpha-Trimethyl-5 alpha-cholesta-8,24-dien-3 beta-ol	MeSH, HMDB
Kryptosterol	MeSH, HMDB
Lanosterin	ChEBI
3beta-Hydroxy-lansota-8,24-dien-21-oic acid	HMDB
3beta-Hydroxylanosta-8,24-diene	HMDB
3β-Hydroxy-lansota-8,24-dien-21-oic acid	HMDB
3β-Hydroxylanosta-8,24-diene	HMDB
4,4,14alpha-Trimethylcholesta-8,24-dien-3beta-ol	HMDB
4,4,14α-Trimethylcholesta-8,24-dien-3β-ol	HMDB
5alpha-Lanosta-8,24-dien-3beta-ol	HMDB
5α-Lanosta-8,24-dien-3β-ol	HMDB
Lanosta-8,24-dien-3β-ol	HMDB
Lanostadien-3beta-ol	HMDB
Lanostadien-3β-ol	HMDB

Molecular Formula

C₃₀H₅₀O

Average Mass

426.7174

Monoisotopic Mass

426.386166222

IUPAC Name

(2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol

Traditional Name

(2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol

CAS Registry Number

79-63-0

SMILES

[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C

InChI Identifier

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1

InChI Key

CAHGCLMLTWQZNJ-BQNIITSRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
14-alpha-methylsteroid
3-beta-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
Steroid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3beta-sterol (CHEBI:16521 )
tetracyclic triterpenoid (CHEBI:16521 )
Cholesterol and derivatives (C01724 )
Cholesterol and derivatives (LMST01010017 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00038 g/L	ALOGPS
logP	7.72	ALOGPS
logP	7.71	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	19.55	ChemAxon
pKa (Strongest Basic)	-0.81	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	134.54 m³·mol⁻¹	ChemAxon
Polarizability	55.06 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-MS (1 TMS)	splash10-0a4l-4910000000-0fe7f84c95ab0a849fe9	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-03dl-2953300000-ae1832f19369485ff53c	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0aou-9820200000-573525b346ad3c9eef59	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0a4l-4910000000-0fe7f84c95ab0a849fe9	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0a4l-2910000000-c67a1f122f33698a14f6	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03dj-1009400000-e2b516142f5128a7b5f6	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-001i-3002900000-35e63c0bf6f033cb847c	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 1V, positive	splash10-0a6r-0110900000-5e42e1f2d9ad534c003c	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 13V, positive	splash10-0a4i-0230900000-10f58fa6e118cd7c5997	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 17V, positive	splash10-0a4i-1791800000-178153ad92eececb33c4	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 20V, positive	splash10-0a4i-2980300000-6ce95c7f8b15b35475af	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 23V, positive	splash10-0a4j-2950100000-48f86ff7a22c596aa44d	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 27V, positive	splash10-0592-3940000000-c35d0cb6a2e4e291e8f8	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 30V, positive	splash10-0592-3920000000-d717fdd3322a881bef99	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 34V, positive	splash10-0592-4910000000-4c6d07e3a8e48ae88580	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 41V, positive	splash10-0a4j-5900000000-4c8b72037dbeae9a46d1	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 52V, positive	splash10-067m-8900000000-522b8688d50362297c41	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 62V, positive	splash10-0aou-9700000000-70d433827c1a6dab0c41	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 76V, positive	splash10-05ox-9500000000-5b122dea636d3e3b5916	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 90V, positive	splash10-05r3-9500000000-0c1c5cbd994f8406f30e	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 111V, positive	splash10-05r3-9600000000-5cb8ae11d071fa19f206	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 29V, positive	splash10-0ktf-0392000000-03cda521ce6e102d92e4	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 29V, positive	splash10-059j-2900000000-8086693fb040e5ed7501	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 29V, positive	splash10-0a4i-4900000000-c58ff2dc28c6ba639997	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 29V, positive	splash10-01vk-0900000000-805937445cceda0cd70a	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 29V, positive	splash10-0aor-0900000000-22d304b445b737121aa7	2020-07-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a6r-0002900000-2cfcf7ce4b5b21140eae	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0pdi-2139500000-9a25961000db9796d6da	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0uxr-4259100000-9f7f26265abec4122e35	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0000900000-77a57cecc2069bee1926	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-0000900000-5b0f06bf8120e780e30c	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4l-1009400000-421e305d47b29da427d2	2016-08-03	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-05mo-9731200000-b1bc6bb68e352e3bd687	2015-03-01	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Endoplasmic reticulum
Extracellular
Membrane

Biospecimen Locations

Blood
Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191935	Lanosterol 14-alpha demethylase	Unknown	Q16850	Homo sapiens
MMDBp0192096	Lanosterol synthase	Enzyme	P48449	Homo sapiens
MMDBp0193337	Delta(24)-sterol reductase	Unknown	Q15392	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank
Mevalonate Pathway
Bloch Pathway (Cholesterol Biosynthesis)
Kandutsch-Russell Pathway (Cholesterol Biosynthesis)

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0001588	Hydrogen Ion	4,4-Dimethylcholesta-8,14,24-trienol	Cytochrome p450, family 4, subfamily f, polypeptide 8	Cytochrome P450 Lanosterol 14-Alpha-Demethylase (NADP)	VMH	10405341
MMDBr0001589	(S)-2,3-epoxysqualene	Lanosterin	Lanosterol synthase (2,3-oxidosqualene-lanosterol cyclase)	Lanosterol Synthase	VMH	30371894
MMDBr0002711	Hydrogen Ion	4,4-Dimethylcholesta-8,14,24-trienol	Cytochrome p450, family 51, subfamily a, polypeptide 1	Lanosterol, NADPH:Oxygen Oxidoreductase (14-Methyl Cleaving)	VMH	11969204 7946524
MMDBr0002793	Lanosterin	Lanosterin	Not Available	Postulated Transport Reaction	VMH	11023036 12739169 12856180 12883891 1554704 18021224 4553030 793184 8725559 8781017
MMDBr0004258	Hydrogen Ion	24,25-dihydrolanosterol	Not Available	RE2407C	VMH	0
MMDBr0008391	Lanosterin	Lanosterin	Not Available	Lanosterol transport	VMH	30371894
MMDBr0008395	Lanosterin	(S)-2,3-epoxysqualene	Not Available	(S)-2,3-epoxysqualene synthase	VMH	30371894
MMDBr0009049	Lanosterin	Lanosterin	Not Available	Transport of Lanosterol	VMH	30371894
MMDBr0009061	Lanosterin	Lanosterin	Not Available	Transport of Lanosterol, Endoplasmic Reticulum	VMH	30371894
MMDBr0009529	(S)-2,3-epoxysqualene	Lanosterin	Lanosterol synthase (2,3-oxidosqualene-lanosterol cyclase)	(S)-2, 3-Epoxysqualene Mutase (Cyclizing, Lanosterol-Forming)	VMH	30371894
MMDBr0009530	Hydrogen Ion	Water	Cytochrome p450, family 51, subfamily a, polypeptide 1	Sterol 14Alpha-Demethylase	VMH	30371894
MMDBr0013331	(S)-2,3-epoxysqualene	Lanosterin	Lanosterol synthase	Synthesis	RHEA	34755880
MMDBr0013332	(S)-2,3-epoxysqualene	Lanosterin	Lanosterol synthase	Synthesis	RHEA	34755880
MMDBr0014540	Lanosterin	4,4-Dimethylcholesta-8,14,24-trienol	Lanosterol 14-alpha demethylase	Demethylation	RHEA	34755880
MMDBr0014541	Lanosterin	4,4-Dimethylcholesta-8,14,24-trienol	Lanosterol 14-alpha demethylase	Demethylation	RHEA	34755880
MMDBr0016619	Lanosterin	Eburicol	Sterol 24-C-methyltransferase erg6	Methylation	RHEA	34755880
MMDBr0016620	Lanosterin	Eburicol	Sterol 24-C-methyltransferase erg6	Methylation	RHEA	34755880
MMDBr0017757	Lanosterin	26-hydroxylanosterol	Ganoderic acid synthetase CYP5150L8	Synthesis	RHEA	34755880
MMDBr0017758	Lanosterin	26-hydroxylanosterol	Ganoderic acid synthetase CYP5150L8	Synthesis	RHEA	34755880
MMDBr0019910	NADPH	NADP	Not Available		PathBank	31602464
MMDBr0019911	NADPH	Formic acid	Lanosterol 14-alpha demethylase CYP51	Demethylation	PathBank	31602464
MMDBr0024914	Lanosterin	CoA	Sterol O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0024915	Lanosterin	CoA	Sterol O-acyltransferase 1	Acylation	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	9	Human feces; Human saliva	Unknown
Bacteria	Proteobacteria	50	Human feces; Human sputum; Human ; Human unknown	Metabolic reconstruction
Bacteria	Bacteroidetes	4	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	25	Human feces; Human	Metabolic reconstruction
Bacteria	Actinobacteria	15	Human feces; Human	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Basidiomycota	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Chondrus crispus	FooDB	31437929
Animal		Haliotis	FooDB	31437929
Animal		Strombidae	FooDB	31437929
Animal		Clupea harengus harengus	FooDB	31437929
Animal		Undaria pinnatifida	FooDB	31437929
Animal		Peprilus triacanthus	FooDB	31437929
Animal		Rhodophyta	FooDB	31437929
Animal		Myoxocephalus	FooDB	31437929
Animal		Eucheuma	FooDB	31437929
Animal		Saccharina japonica	FooDB	31437929
Animal		Spirulina	FooDB	31437929
Animal		Lota lota	FooDB	31437929
Animal		Porphyra umbilicalis	FooDB	31437929
Animal		Laminaria	FooDB	31437929
Plant		Lepidium sativum	FooDB	31437929
Plant		Castanea mollissima	FooDB	31437929
Plant		Helianthus tuberosus	FooDB	31437929
Plant		Morus	FooDB	31437929
Plant		Phytolacca americana	FooDB	31437929
Plant		Vitis labrusca	FooDB	31437929
Plant			FooDB	31437929
Plant		Artemisia vulgaris	FooDB	31437929
Plant		Tetragonia tetragonioides	FooDB	31437929
Plant		Cucumis metuliferus	FooDB	31437929
Plant		Nephelium lappaceum	FooDB	31437929
Plant		Myrica	FooDB	31437929
Plant		Corylus avellana	FooDB	31437929
Plant		Castanea crenata	FooDB	31437929
Plant		Litchi chinensis	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Quercus	FooDB	31437929
Plant		Trigonella foenum-graecum	FooDB	31437929
Plant		Vaccinium angustifolium	FooDB	31437929
Plant		Physalis	FooDB	31437929
Plant		Malpighia emarginata	FooDB	31437929
Plant		Brassica oleracea var. sabauda	FooDB	31437929
Plant		Brassica napus	FooDB	31437929
Plant		Thelesperma	FooDB	31437929
Plant		Asparagus officinalis	FooDB	31437929
Plant		Chamerion angustifolium	FooDB	31437929
Plant		Levisticum officinale	FooDB	31437929
Plant		Pimpinella anisum	FooDB	31437929
Plant		Citrus aurantiifolia	FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Vaccinium elliottii	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Matricaria recutita	FooDB	31437929
Plant		Ziziphus zizyphus	FooDB	31437929
Plant		Dimocarpus longan	FooDB	31437929
Plant		Eragrostis tef	FooDB	31437929
Plant		Salvia hispanica	FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Malus pumila	FooDB	31437929
Plant		Pangium edule	FooDB	31437929
Plant		Cynara cardunculus	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant		Brassica oleracea var. viridis	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant			FooDB	31437929
Plant		Agave	FooDB	31437929
Plant		Diospyros	FooDB	31437929
Plant		Hedysarum alpinum	FooDB	31437929
Plant		Gossypium	FooDB	31437929
Plant		Vigna aconitifolia	FooDB	31437929
Plant		Amaranthus	FooDB	31437929
Plant		Beta vulgaris	FooDB	31437929
Plant		Mammea americana	FooDB	31437929
Plant		Annona squamosa	FooDB	31437929
Plant		Brassica alboglabra	FooDB	31437929
Plant	Seed	Capsicum annuum	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Cucumis sativus	FooDB	31437929
Plant		Apium graveolens var. dulce	FooDB	31437929
Plant		Xanthosoma sagittifolium	FooDB	31437929
Plant		Basella alba	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant		Citrus latifolia	FooDB	31437929
Plant		Capsicum baccatum var. baccatum	FooDB	31437929
Plant		Byrsonima crassifolia	FooDB	31437929
Plant		Ribes rubrum	FooDB	31437929
Plant		Cinnamomum aromaticum	FooDB	31437929
Plant		Capsicum pubescens	FooDB	31437929
Plant		Crateva religiosa	FooDB	31437929
Plant		Brassica rapa var. chinensis	FooDB	31437929
Plant			FooDB	31437929
Plant		Portulaca oleracea	FooDB	31437929
Plant		Ipomoea batatas	FooDB	31437929
Plant		Mentha arvensis	FooDB	31437929
Plant		Vitis aestivalis	FooDB	31437929
Plant		Eugenia javanica	FooDB	31437929
Plant		Pastinaca sativa	FooDB	31437929
Plant		Cucurbita maxima	FooDB	31437929
Plant		Chenopodium album	FooDB	31437929
Plant		Psophocarpus tetragonolobus	FooDB	31437929
Plant		Vaccinium stamineum	FooDB	31437929
Plant		Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant		Allium ampeloprasum	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant		Sechium edule	FooDB	31437929
Plant		Lactuca sativa l. var. longifolia	FooDB	31437929
Plant		Grataegosorbus mitschurinii	FooDB	31437929
Plant		Diospyros virginiana	FooDB	31437929
Plant		Origanum x majoricum	FooDB	31437929
Plant		Rubus x loganobaccus	FooDB	31437929
Plant		Taraxacum officinale	FooDB	31437929
Plant		Tragopogon porrifolius	FooDB	31437929
Plant		Rumex	FooDB	31437929
Plant		Allium ascalonicum	FooDB	31437929
Plant		Curcuma longa	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Rubus chamaemorus	FooDB	31437929
Plant		Persea americana	FooDB	31437929
Plant		Elettaria cardamomum	FooDB	31437929
Plant		Citrullus lanatus var. fistulosus	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Eugenia uniflora	FooDB	31437929
Plant		Annona reticulata	FooDB	31437929
Plant		Cichorium intybus	FooDB	31437929
Plant		Sesbania bispinosa	FooDB	31437929
Plant		Brassica oleracea var. botrytis	FooDB	31437929
Plant		Chenopodium quinoa	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Garcinia mangostana	FooDB	31437929
Plant		Corchorus olitorius	FooDB	31437929
Plant		Juglans nigra	FooDB	31437929
Plant		Dioscorea pentaphylla	FooDB	31437929
Plant		Cinnamomum verum	FooDB	31437929
Plant		Lathyrus sativus	FooDB	31437929
Plant		Allium tuberosum	FooDB	31437929
Plant		Petasites japonicus	FooDB	31437929
Plant		Gaylussacia baccata	FooDB	31437929
Plant		Prunus tomentosa	FooDB	31437929
Plant		Mentha x piperita	FooDB	31437929
Plant		Ocimum basilicum	FooDB	31437929
Plant		Maranta arundinacea	FooDB	31437929
Plant	Seed	Glycine max	FooDB	31437929
Plant		Matteuccia struthiopteris	FooDB	31437929
Plant		Cucurbita moschata	FooDB	31437929
Plant		Citrus limon	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant		Tilia	FooDB	31437929
Plant		Apium graveolens var. rapaceum	FooDB	31437929
Plant		Papaver	FooDB	31437929
Plant		Vaccinium myrtilloides	FooDB	31437929
Plant		Rosa	FooDB	31437929
Plant		Capsicum annuum var. annuum	FooDB	31437929
Plant		Sesamum orientale	FooDB	31437929
Plant		Nelumbo	FooDB	31437929
Plant		Brassica oleracea var. conica	FooDB	31437929
Plant		Annona cherimola	FooDB	31437929
Plant		Brassica rapa var. pekinensis	FooDB	31437929
Plant		Brassica rapa	FooDB	31437929
Plant		Lippia graveolens	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Capparis spinosa	FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Vaccinium deliciosum	FooDB	31437929
Plant		Phaseolus lunatus	FooDB	31437929
Plant		Artocarpus heterophyllus	FooDB	31437929
Plant		Prunus virginiana	FooDB	31437929
Plant		Linum usitatissimum	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant		Macadamia tetraphylla	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Prunus armeniaca	FooDB	31437929
Plant		Phyllostachys edulis	FooDB	31437929
Plant		Lagenaria siceraria	FooDB	31437929
Plant		Carum carvi	FooDB	31437929
Plant		Allium schoenoprasum	FooDB	31437929
Plant		Citrus reticulata	FooDB	31437929
Plant		Carissa macrocarpa	FooDB	31437929
Plant		Averrhoa carambola	FooDB	31437929
Plant		Satureja hortensis	FooDB	31437929
Plant		Brassica rapa var. rapa	FooDB	31437929
Plant		Anethum graveolens	FooDB	31437929
Plant		Sorbus aucuparia	FooDB	31437929
Plant		Coriandrum sativum	FooDB	31437929
Plant		Nelumbo nucifera	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Cymbopogon citratus	FooDB	31437929
Plant		Brassica oleracea var. costata	FooDB	31437929
Plant		Panax	FooDB	31437929
Plant		Ceratonia siliqua	FooDB	31437929
Plant		Luffa aegyptiaca	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant		Carthamus tinctorius	FooDB	31437929
Plant		Cicer arietinum	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant		Vigna umbellata	FooDB	31437929
Plant		Camellia sinensis	FooDB	31437929
Plant		Allium fistulosum	FooDB	31437929
Plant		Capsicum	FooDB	31437929
Plant		Vaccinium alaskaense	FooDB	31437929
Plant		Lupinus	FooDB	31437929
Plant		Tilia cordata	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Grifola frondosa	FooDB	31437929
Plant		Eriobotrya japonica	FooDB	31437929
Plant		Durio zibethinus	FooDB	31437929
Plant		Brassica napus var. pabularia	FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Oenothera biennis	FooDB	31437929
Plant		Diospyros kaki	FooDB	31437929
Plant		Ribes glandulosum	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant		Virola surinamensis	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Rumex acetosa	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Brassica oleracea var. capitata	FooDB	31437929
Plant		Syzygium aromaticum	FooDB	31437929
Plant		Pyrus pyrifolia	FooDB	31437929
Plant		Vicia faba	FooDB	31437929
Plant		Vaccinium parvifolium	FooDB	31437929
Plant		Aloysia triphylla	FooDB	31437929
Plant		Capsicum chinense	FooDB	31437929
Plant		Theobroma grandiflorum	FooDB	31437929
Plant		Vaccinium reticulatum	FooDB	31437929
Plant		Solanum quitoense	FooDB	31437929
Plant		Ginkgo biloba	FooDB	31437929
Plant		Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant		Flammulina velutipes	FooDB	31437929
Plant		Satureja montana	FooDB	31437929
Plant		Citrus japonica	FooDB	31437929
Plant			FooDB	31437929
Plant		Vitis vinifera	FooDB	31437929
Plant		Prunus avium	FooDB	31437929
Plant		Perideridia oregana	FooDB	31437929
Plant	Seed oil	Vitellaria paradoxa	FooDB	31437929
Plant		Vaccinium arboreum	FooDB	31437929
Plant		Pouteria sapota	FooDB	31437929
Plant		Wasabia japonica	FooDB	31437929
Plant		Piper nigrum	FooDB	31437929
Plant		Origanum onites	FooDB	31437929
Plant		Origanum vulgare	FooDB	31437929
Plant		Viburnum edule	FooDB	31437929
Plant		Dioscorea	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant		Vaccinium uliginosum	FooDB	31437929
Plant		Castanea	FooDB	31437929
Plant		Rubus ursinus x idaeus	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Cirsium	FooDB	31437929
Plant		Pleurotus ostreatus	FooDB	31437929
Plant		Opuntia	FooDB	31437929
Plant		Anthriscus cerefolium	FooDB	31437929
Plant		Raphanus sativus var. sativus	FooDB	31437929
Plant		Colocasia esculenta	FooDB	31437929
Plant		Prunus persica var. persica	FooDB	31437929
Plant		Myristica fragrans	FooDB	31437929
Plant		Nuphar lutea	FooDB	31437929
Plant		Lupinus albus	FooDB	31437929
Plant		Pachyrhizus erosus	FooDB	31437929
Plant		Cichorium endivia	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant		Elaeis	FooDB	31437929
Plant		Cinnamomum	FooDB	31437929
Plant		Ribes uva-crispa	FooDB	31437929
Plant		Feijoa sellowiana	FooDB	31437929
Plant		Dysphania ambrosioides	FooDB	31437929
Plant		Raphanus sativus var. niger	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant		Salvia officinalis	FooDB	31437929
Plant		Rheum rhabarbarum	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant	Seed	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant		Lablab purpureus	FooDB	31437929
Plant		Crocus sativus	FooDB	31437929
Plant		Cydonia oblonga	FooDB	31437929
Plant		Citrus maxima	FooDB	31437929
Plant		Syzygium jambos	FooDB	31437929
Plant		Annona muricata	FooDB	31437929
Plant		Salix pulchra	FooDB	31437929
Plant		Castanea sativa	FooDB	31437929
Plant		Cucurbita	FooDB	31437929
Plant		Fagus	FooDB	31437929
Plant		Opuntia cochenillifera	FooDB	31437929
Plant		Vaccinium ovatum	FooDB	31437929
Plant		Cocos nucifera	FooDB	31437929
Plant		Tamarindus indica	FooDB	31437929
Plant		Phaseolus coccineus	FooDB	31437929
Plant		Thymus pulegioides	FooDB	31437929
Plant		Mespilus germanica	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Brassica rapa var. perviridis	FooDB	31437929
Plant		Mentha aquatica	FooDB	31437929
Plant		Salvia elegans	FooDB	31437929
Plant		Mentha	FooDB	31437929
Plant		Solanum tuberosum	FooDB	31437929
Plant		Psidium guajava	FooDB	31437929
Plant		Sagittaria latifolia	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Sambucus	FooDB	31437929
Plant		Pinus	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant		Tilia tomentosa	FooDB	31437929
Plant		Daucus carota	FooDB	31437929
Plant		Typha angustifolia	FooDB	31437929
Plant		Vaccinium vitis-idaea	FooDB	31437929
Plant		Empetrum nigrum	FooDB	31437929
Plant		Valerianella locusta	FooDB	31437929
Plant		Myrica rubra	FooDB	31437929
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant		Sisymbrium	FooDB	31437929
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant		Vanilla	FooDB	31437929
Plant		Raphanus sativus	FooDB	31437929
Plant		Vigna radiata	FooDB	31437929
Plant		Carya	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Manihot esculenta	FooDB	31437929
Plant		Physalis philadelphica var. immaculata	FooDB	31437929
Plant		Borago officinalis	FooDB	31437929
Plant		Hyssopus officinalis	FooDB	31437929
Plant		Beta vulgaris ssp. cicla	FooDB	31437929
Plant		Scorzonera hispanica	FooDB	31437929
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant		Angelica keiskei	FooDB	31437929
Plant		Ipomoea aquatica	FooDB	31437929
Plant		Musa x paradisiaca	FooDB	31437929
Plant		Cuminum cyminum	FooDB	31437929
Plant		Rubus spectabilis	FooDB	31437929
Plant		Allium sativum	FooDB	31437929
Plant		Arachis hypogaea	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Cantharellus cibarius	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant		Sinapis alba	FooDB	31437929
Plant	Fruit	Capsicum annuum	FooDB	31437929
Plant		Apium graveolens var. secalinum	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Abelmoschus esculentus	FooDB	31437929
Plant		Moringa oleifera	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Passiflora edulis	FooDB	31437929
Plant		Vigna angularis	FooDB	31437929
Plant		Opuntia macrorhiza	FooDB	31437929
Plant		Mentha spicata	FooDB	31437929
Plant		Helianthus annuus	FooDB	31437929
Plant		Cucurbita pepo var. clypeata	FooDB	31437929
Plant		Manilkara zapota	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant		Malus	FooDB	31437929
Plant		Pisum sativum	FooDB	31437929
Plant		Juglans	FooDB	31437929
Plant		Zingiber officinale	FooDB	31437929
Plant		Petroselinum crispum	FooDB	31437929
Plant		Sambucus nigra	FooDB	31437929
Plant		Allium cepa	FooDB	31437929
Plant		Ribes nigrum	FooDB	31437929
Plant		Mangifera indica	FooDB	31437929
Plant		Illicium verum	FooDB	31437929
Plant		Chamaemelum nobile	FooDB	31437929
Plant		Laurus nobilis	FooDB	31437929
Plant			FooDB	31437929
Plant		Auricularia auricula-judae	FooDB	31437929
Plant		Attalea speciosa	FooDB	31437929
Plant		Juglans ailanthifolia	FooDB	31437929
Plant		Melissa officinalis	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Spinacia oleracea	FooDB	31437929
Plant		Polygonum alpinum	FooDB	31437929
Plant		Brassica juncea	FooDB	31437929
Plant		Pediomelum esculentum	FooDB	31437929
Plant	Fruit	Momordica charantia	FooDB	31437929
Plant		Auricularia polytricha	FooDB	31437929
Plant		Camellia oleifera	FooDB	31437929
Plant		Carica papaya	FooDB	31437929
Plant		Vaccinium corymbosum	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant		Chrysanthemum coronarium	FooDB	31437929
Plant		Eleocharis dulcis	FooDB	31437929
Plant		Thymus vulgaris	FooDB	31437929
Plant		Medicago sativa	FooDB	31437929
Plant		Vigna mungo	FooDB	31437929
Plant		Pimenta dioica	FooDB	31437929
Plant		Rubus arcticus	FooDB	31437929
Plant		Agaricus bisporus	FooDB	31437929
Plant		Cajanus cajan	FooDB	31437929
Plant		Origanum majorana	FooDB	31437929
Plant		Rumex articus	FooDB	31437929
Plant		Armoracia rusticana	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Hibiscus sabdariffa	FooDB	31437929
Plant		Benincasa hispida	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Canarium ovatum	FooDB	31437929
Plant		Ribes aureum var. villosum	FooDB	31437929
Plant			FooDB	31437929
Plant		Brassica oleracea var. gemmifera	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Brassica oleracea var. gongylodes	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant		Arctium lappa	FooDB	31437929
Plant		Juglans cinerea	FooDB	31437929
Plant		Prunus cerasus	FooDB	31437929
Plant		Artocarpus altilis	FooDB	31437929
Plant	Seed	Coffea arabica	FooDB	31437929
Plant		Eruca vesicaria ssp. sativa	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant		Ficus carica	FooDB	31437929
Plant		Lentinus edodes	FooDB	31437929
Plant		Cyathea	FooDB	31437929
Plant		Metroxylon sagu	FooDB	31437929
Plant		Vitis rotundifolia	FooDB	31437929
Plant		Brosimum alicastrum	FooDB	31437929
Plant		Psidium cattleianum	FooDB	31437929
Plant		Beta vulgaris var. rubra	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Blood	Detected and Quantified	0.48	0.114	uM	Adult (>18 years old)	Both	Normal	HMDB	20671299
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	29808030

External Links

HMDB ID

HMDB0001251

DrugBank ID

DB03696

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

16521

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]

Showing metabocard for Lanosterin (MMDBc0032951)

MOL for #<Metabolite:0x000055d247561610>

3D MOL for #<Metabolite:0x000055d247561610>

3D SDF for #<Metabolite:0x000055d247561610>

3D-SDF for #<Metabolite:0x000055d247561610>

PDB for #<Metabolite:0x000055d247561610>

3D PDB for #<Metabolite:0x000055d247561610>

SMILES for #<Metabolite:0x000055d247561610>

INCHI for #<Metabolite:0x000055d247561610>

Structure for #<Metabolite:0x000055d247561610>

3D Structure for #<Metabolite:0x000055d247561610>