MiMeDB: Showing metabocard for D-Maltose (MMDBc0000051)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:28:36 UTC

Update Date

2024-04-30 19:30:56 UTC

Metabolite ID

MMDBc0000051

Metabolite Identification

Common Name

D-Maltose

Description

Maltose, or malt sugar, is a primary disaccharide in the human diet formed from two units of glucose joined with an alpha (1->4) linkage. It is the second member of an important biochemical series of glucose chains. The addition of another glucose unit yields maltotriose, Further additions will produce dextrins, also called maltodextrins, and eventually starch. Maltose can be broken down into two glucose molecules by hydrolysis in living organisms. At the surface of the small intestine, the brush border enzymes maltase, breaks down maltose. (PMID: 14522745 ).

Structure

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

HMDB0000163
     RDKit          3D
D-Maltose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.8477    1.8134    1.7693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9644    2.0500    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963    0.8045    0.1277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6949    0.0215    1.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -0.8383    0.2422 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0735   -0.0179   -0.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573   -0.0656   -0.1929 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7937    1.2653    0.2999 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7239    1.4077    1.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    0.5719    2.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.5378   -0.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    0.5100   -0.0489 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1113    0.9080   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967   -0.7764   -0.6919 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1903   -1.7504    0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -0.4487   -1.3535 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6927   -1.4705   -2.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7386   -1.7869   -0.5350 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9704   -2.7013   -1.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013   -1.0152   -1.4241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5418   -1.8527   -2.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4637   -0.0897   -0.4653 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4505    0.6211   -1.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795    2.6381    2.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    2.6382    1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    2.6520   -0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6707    1.1142   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997   -1.4083    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713   -0.8102    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    2.0440   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    1.2742    2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    2.4530    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -0.3437    2.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    0.3095    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8730    0.3852   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116   -1.1785   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0023   -2.1322    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454    0.4945   -1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876   -1.1928   -2.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3665   -2.3423    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5632   -3.4503   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065   -0.3446   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1016   -1.2911   -2.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.7408    0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2936    0.5341   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  1
  7 29  1  1
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END


  Mrv1652304202019412D          

 23 24  0  0  1  0            999 V2000
    8.7262  -12.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1551  -13.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7262  -13.1127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8696  -13.5252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0117  -13.5252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0117  -14.3502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5840  -14.7627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2985  -14.3502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7262  -14.7627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8696  -14.3502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2985  -13.5252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4406  -14.3502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0117  -11.8752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1551  -12.2877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972  -13.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972  -14.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5840  -15.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0130  -14.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7262  -15.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0130  -13.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5840  -13.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4406  -13.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1551  -14.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  3  1  1  1  0  0  0
  4  2  1  1  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5 15  1  6  0  0  0
  5  6  1  0  0  0  0
  6 16  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  1  0  0  0
  8 11  1  0  0  0  0
  8 18  1  1  0  0  0
  9 19  1  6  0  0  0
  9 12  1  0  0  0  0
 10 23  1  6  0  0  0
 11 21  1  0  0  0  0
 11 20  1  6  0  0  0
 12 22  1  0  0  0  0
 12 23  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000051

> <DATABASE_NAME>
MIME

> <SMILES>
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1

> <INCHI_KEY>
GUBGYTABKSRVRQ-DKBJLJRDSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.42931831870777

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-3.01

> <JCHEM_LOGP>
-4.703374863666666

> <ALOGPS_LOGS>
0.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.17368931723461

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.254374125721942

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652988272

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.3367

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.86e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000163
     RDKit          3D
D-Maltose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.8477    1.8134    1.7693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9644    2.0500    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963    0.8045    0.1277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6949    0.0215    1.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -0.8383    0.2422 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0735   -0.0179   -0.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573   -0.0656   -0.1929 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7937    1.2653    0.2999 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7239    1.4077    1.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    0.5719    2.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.5378   -0.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    0.5100   -0.0489 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1113    0.9080   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967   -0.7764   -0.6919 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1903   -1.7504    0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -0.4487   -1.3535 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6927   -1.4705   -2.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7386   -1.7869   -0.5350 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9704   -2.7013   -1.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013   -1.0152   -1.4241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5418   -1.8527   -2.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4637   -0.0897   -0.4653 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4505    0.6211   -1.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795    2.6381    2.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    2.6382    1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    2.6520   -0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6707    1.1142   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997   -1.4083    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713   -0.8102    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    2.0440   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    1.2742    2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    2.4530    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -0.3437    2.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    0.3095    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8730    0.3852   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116   -1.1785   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0023   -2.1322    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454    0.4945   -1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876   -1.1928   -2.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3665   -2.3423    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5632   -3.4503   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065   -0.3446   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1016   -1.2911   -2.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.7408    0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2936    0.5341   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  1
  7 29  1  1
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  C   UNK     0      16.289 -22.937   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.956 -24.477   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.289 -24.477   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.290 -25.247   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.955 -25.247   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.955 -26.787   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.623 -27.557   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.957 -26.787   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.289 -27.557   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.290 -26.787   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.957 -25.247   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.622 -26.787   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      14.955 -22.167   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      18.956 -22.937   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      13.621 -24.477   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      13.621 -27.557   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      21.623 -29.097   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      24.291 -27.557   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      16.289 -29.097   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      24.291 -24.477   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      21.623 -24.477   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      17.622 -25.247   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      18.956 -27.557   0.000  0.00  0.00           O+0
CONECT    1   13    3                                                       
CONECT    2    4   14                                                       
CONECT    3    1    5   22                                                  
CONECT    4    2   10   21                                                  
CONECT    5    3   15    6                                                  
CONECT    6    5   16    9                                                  
CONECT    7    8   10   17                                                  
CONECT    8    7   11   18                                                  
CONECT    9    6   19   12                                                  
CONECT   10    4    7   23                                                  
CONECT   11    8   21   20                                                  
CONECT   12    9   22   23                                                  
CONECT   13    1                                                            
CONECT   14    2                                                            
CONECT   15    5                                                            
CONECT   16    6                                                            
CONECT   17    7                                                            
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   11                                                            
CONECT   21    4   11                                                       
CONECT   22    3   12                                                       
CONECT   23   10   12                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0000163
HETATM    1  O1  UNL     1      -3.848   1.813   1.769  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.964   2.050   0.743  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.396   0.805   0.128  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.695   0.022   1.042  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.895  -0.838   0.242  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.073  -0.018  -0.513  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.257  -0.066  -0.193  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.794   1.265   0.300  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.724   1.408   1.787  1.00  0.00           C  
HETATM   10  O4  UNL     1       2.564   0.572   2.479  1.00  0.00           O  
HETATM   11  O5  UNL     1       3.065   1.538  -0.131  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.962   0.510  -0.049  1.00  0.00           C  
HETATM   13  O6  UNL     1       5.111   0.908  -0.773  1.00  0.00           O  
HETATM   14  C8  UNL     1       3.497  -0.776  -0.692  1.00  0.00           C  
HETATM   15  O7  UNL     1       3.190  -1.750   0.269  1.00  0.00           O  
HETATM   16  C9  UNL     1       2.149  -0.449  -1.353  1.00  0.00           C  
HETATM   17  O8  UNL     1       1.693  -1.470  -2.129  1.00  0.00           O  
HETATM   18  C10 UNL     1      -1.739  -1.787  -0.535  1.00  0.00           C  
HETATM   19  O9  UNL     1      -0.970  -2.701  -1.196  1.00  0.00           O  
HETATM   20  C11 UNL     1      -2.701  -1.015  -1.424  1.00  0.00           C  
HETATM   21  O10 UNL     1      -3.542  -1.853  -2.115  1.00  0.00           O  
HETATM   22  C12 UNL     1      -3.464  -0.090  -0.465  1.00  0.00           C  
HETATM   23  O11 UNL     1      -4.451   0.621  -1.123  1.00  0.00           O  
HETATM   24  H1  UNL     1      -3.879   2.638   2.332  1.00  0.00           H  
HETATM   25  H2  UNL     1      -2.111   2.638   1.139  1.00  0.00           H  
HETATM   26  H3  UNL     1      -3.404   2.652  -0.078  1.00  0.00           H  
HETATM   27  H4  UNL     1      -1.671   1.114  -0.652  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.300  -1.408   0.985  1.00  0.00           H  
HETATM   29  H6  UNL     1       1.371  -0.810   0.638  1.00  0.00           H  
HETATM   30  H7  UNL     1       1.116   2.044  -0.135  1.00  0.00           H  
HETATM   31  H8  UNL     1       0.702   1.274   2.196  1.00  0.00           H  
HETATM   32  H9  UNL     1       2.014   2.453   2.031  1.00  0.00           H  
HETATM   33  H10 UNL     1       2.235  -0.344   2.608  1.00  0.00           H  
HETATM   34  H11 UNL     1       4.340   0.310   0.983  1.00  0.00           H  
HETATM   35  H12 UNL     1       5.873   0.385  -0.450  1.00  0.00           H  
HETATM   36  H13 UNL     1       4.212  -1.178  -1.429  1.00  0.00           H  
HETATM   37  H14 UNL     1       4.002  -2.132   0.682  1.00  0.00           H  
HETATM   38  H15 UNL     1       2.345   0.494  -1.925  1.00  0.00           H  
HETATM   39  H16 UNL     1       1.188  -1.193  -2.929  1.00  0.00           H  
HETATM   40  H17 UNL     1      -2.366  -2.342   0.208  1.00  0.00           H  
HETATM   41  H18 UNL     1      -1.563  -3.450  -1.499  1.00  0.00           H  
HETATM   42  H19 UNL     1      -2.106  -0.345  -2.075  1.00  0.00           H  
HETATM   43  H20 UNL     1      -4.102  -1.291  -2.708  1.00  0.00           H  
HETATM   44  H21 UNL     1      -3.870  -0.741   0.333  1.00  0.00           H  
HETATM   45  H22 UNL     1      -5.294   0.534  -0.588  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   16   29
CONECT    8    9   11   30
CONECT    9   10   31   32
CONECT   10   33
CONECT   11   12
CONECT   12   13   14   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0000163
     RDKit          3D
D-Maltose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.8477    1.8134    1.7693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9644    2.0500    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963    0.8045    0.1277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6949    0.0215    1.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -0.8383    0.2422 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0735   -0.0179   -0.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573   -0.0656   -0.1929 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7937    1.2653    0.2999 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7239    1.4077    1.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    0.5719    2.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.5378   -0.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    0.5100   -0.0489 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1113    0.9080   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967   -0.7764   -0.6919 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1903   -1.7504    0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -0.4487   -1.3535 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6927   -1.4705   -2.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7386   -1.7869   -0.5350 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9704   -2.7013   -1.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013   -1.0152   -1.4241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5418   -1.8527   -2.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4637   -0.0897   -0.4653 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4505    0.6211   -1.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795    2.6381    2.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    2.6382    1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    2.6520   -0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6707    1.1142   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997   -1.4083    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713   -0.8102    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    2.0440   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    1.2742    2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    2.4530    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -0.3437    2.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    0.3095    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8730    0.3852   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116   -1.1785   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0023   -2.1322    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454    0.4945   -1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876   -1.1928   -2.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3665   -2.3423    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5632   -3.4503   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065   -0.3446   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1016   -1.2911   -2.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.7408    0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2936    0.5341   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  1
  7 29  1  1
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

Synonyms

Value	Source
4-O-alpha-D-Glucopyranosyl-alpha-D-mannopyranose	ChEBI
4-O-a-D-Glucopyranosyl-a-D-mannopyranose	Generator
4-O-Α-D-glucopyranosyl-α-D-mannopyranose	Generator
1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose	HMDB
1-alpha-delta-Glucopyranosyl-4-alpha-delta-glucopyranose	HMDB
4-(alpha-D-Glucopyranosido)-alpha-glucopyranose	HMDB
4-(alpha-D-Glucosido)-D-glucose	HMDB
4-(alpha-delta-Glucopyranosido)-alpha-glucopyranose	HMDB
4-(alpha-delta-Glucosido)-delta-glucose	HMDB
4-O-a-D-Glucopyranosyl-D-glucose	HMDB
4-O-alpha-D-Glucopyranosyl-D-glucopyranose	HMDB
4-O-alpha-D-Glucopyranosyl-D-glucose	HMDB
4-O-alpha-delta-Glucopyranosyl-delta-glucopyranose	HMDB
4-O-alpha-delta-Glucopyranosyl-delta-glucose	HMDB
Advantose 100	HMDB
alpha-D-GLCP-(1->4)-D-GLCP	HMDB
alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose	HMDB
alpha-D-Glucopyranosyl-(1->4)-D-glucose	HMDB
alpha-delta-GLCP-(1->4)-delta-GLCP	HMDB
alpha-delta-Glucopyranosyl-(1->4)-delta-glucopyranose	HMDB
alpha-delta-Glucopyranosyl-(1->4)-delta-glucose	HMDB
alpha-Malt sugar	HMDB
Cextromaltose	HMDB
D-(+)-Maltose	HMDB
delta-(+)-Maltose	HMDB
delta-Maltose	HMDB
Finetose	HMDB
Finetose F	HMDB
Madoros	HMDB
Malt sugar	HMDB
Maltobiose	HMDB
Maltodiose	HMDB
Maltos	HMDB
Maltose	HMDB
Maltose HH	HMDB
Maltose HHH	HMDB
Maltose solution	HMDB
Malzzucker	HMDB
Martos-10	HMDB
Sunmalt	HMDB
Sunmalt S	HMDB

Molecular Formula

C₁₂H₂₂O₁₁

Average Mass

342.2965

Monoisotopic Mass

342.116211546

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

Traditional Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

CAS Registry Number

69-79-4

SMILES

OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1

InChI Key

GUBGYTABKSRVRQ-DKBJLJRDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

alpha-D-glucosyl-(1->4)-D-mannopyranose (CHEBI:47937 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	586 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.7	ChemAxon
logS	0.23	ALOGPS
pKa (Strongest Acidic)	11.25	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	31.43 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03e9-4897000000-332d470623cd7f1e1ced	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-014i-3421129000-03a98898fd3278f95502	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_3_3) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_3_16) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_2) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_10) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_11) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_12) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_20) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_32) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_33) - 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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS ("D-Maltose,3TBDMS,#3" TMS) - 70eV, Positive	Not Available	2021-10-14	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-01ox-0149000000-74748828832d87932342	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-008c-2950000000-4ebee22b86c2cc9ee3ab	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-00kg-9710000000-041dbc580f99b8881518	2012-07-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03gl-0907000000-a1de7813fbe8b5258c10	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03e9-0900000000-79cc5059a3f338e8c1dd	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-3900000000-851d0bc84d91b6e09579	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002f-0749000000-af1d18f2bc3ab8e02883	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0200-2902000000-67218697344afb9e70fa	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-01td-4900000000-40aa2d8125769803cfbb	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0109000000-9d0f9a68a67bafd734ab	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01rw-3898000000-7f495a1bcfdbed6466c4	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01ti-9210000000-b8a83657f0266d372bee	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000x-1069000000-9cd867711bca0eecf935	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-9365000000-65403961bfb5e35eaa0d	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000l-9200000000-0de9785c1c5df1430dd2	2021-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Lysosome

Biospecimen Locations

Blood
Feces
Kidney
Liver
Placenta
Platelet
Sweat
Urine

Tissue Locations

Kidney
Liver
Placenta
Platelet

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192035	Glycogen debranching enzyme	Enzyme	P35573	Homo sapiens
MMDBp0193281	Lysosomal alpha-glucosidase	Enzyme	P10253	Homo sapiens
MMDBp0193413	Alpha-amylase 1	Unknown	P04745	Homo sapiens
MMDBp0193433	Alpha-amylase 2B	Unknown	P19961	Homo sapiens
MMDBp0193796	Maltase-glucoamylase, intestinal	Enzyme	O43451	Homo sapiens
MMDBp0194024	Neutral alpha-glucosidase C	Enzyme	Q8TET4	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001610	D-Maltose	D-Glucose	maltase-glucoamylase (alpha-glucosidase)	VMH; KEGG	30371894
MMDBr0001611	D-Maltose	D-Glucose	glucosidase, alpha; acid	VMH; KEGG	30371894
MMDBr0001678	Maltotriose	D-Glucose	Not Available	VMH	12370436
MMDBr0001679	Maltotriose	D-Glucose	maltase-glucoamylase (alpha-glucosidase)	VMH	3143729
MMDBr0001680	Maltotriose	D-Glucose	glucosidase, alpha; acid	VMH	3049072
MMDBr0001804	Starch, Structure 2 (1,6-{2[1,4-Glc], [1,4-Glc]})	D-Glucose	Not Available	VMH	30371894
MMDBr0007714	D-Maltose	D-Glucose	Not Available	VMH	30371894
MMDBr0007715	D-Maltose	D-Glucose	Not Available	VMH	30371894
MMDBr0007716	D-Maltose	D-Glucose	Not Available	VMH	30371894
MMDBr0007717	D-Maltose	D-Glucose	Not Available	VMH	30371894
MMDBr0007894	D-Maltose	D-Glucose	Not Available	VMH; KEGG	30371894
MMDBr0007895	D-Maltose	Acetyl-maltose	Not Available	VMH	30371894
MMDBr0008331	Trehalose	D-Maltose	Not Available	VMH	30371894
MMDBr0008429	D-Maltose	Glucose 1-phosphate	Not Available	VMH	30371894
MMDBr0010642	Maltotriose	D-Fructose	amylase, alpha 1A (salivary)	VMH	30371894
MMDBr0010643	D-Maltose	D-Fructose	amylase, alpha 1A (salivary)	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Eosinophilic esophagitis	Slight Decrease	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota	Apicomplexa	3		Microbial culture
Bacteria	Firmicutes	945	Human ; Human feces; Human stool; Human supragingival plaque; Human urine; Human sputum; Human saliva; Human mucosa; Human subgingival plaque; Human vaginal fluid; Human dental plaque; Human pleural fluid plaque; Pig ; Cattle	Microbial culture; Metabolic reconstruction; Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Bacteroidetes	262	Human saliva; Human ; Human stool; Human feces; Human gastric fluid; Human urine; Human subgingival plaque; Human bronichial aspirate; Human appendix biopsy; Human supragingival plaque; Human vaginal fluid; Human mucosa; Human sputum	Microbial culture; Metabolic reconstruction
Eukaryota	Apicomplexa	1		Microbial culture
Bacteria	Spirochaetes	7	Human feces	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	6	Human feces; Human saliva; Human supragingival plaque	Microbial culture; Unknown
Bacteria	Proteobacteria	355	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human supragingival plaque; Human subgingival plaque; Human mucosa; Human saliva	Microbial culture; Metabolic reconstruction
Bacteria	Deinococcus-thermus	3		Microbial culture
Bacteria	Actinobacteria	306	Human ; Human feces; Human stool; Human saliva; Human mucosa; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human supragingival plaque; Human subgingival plaque; Cattle ; Human urine	Microbial culture; Metabolic reconstruction
Bacteria	Thermotogae	1		Microbial culture
Bacteria	Ignavibacteriae	1	Human	Microbial culture
Bacteria	Fusobacteria	38	Human ; Human supragingival plaque; Human subgingival plaque; Human saliva; bal; Human saliva; Human feces	Microbial culture; Metabolic reconstruction
Bacteria	Chloroflexi	1		Microbial culture
Eukaryota	Parabasalia	1		Microbial culture
Bacteria	Verrucomicrobia	3	Human feces; Human stool; Human ; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Archaea	Euryarchaeota	5	Human feces; Human	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Synergistetes	5	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	6	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	3	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	3	Human feces	Metabolic reconstruction
Archaea/Archaea	nah	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	1169.0	526.0			uM	Adult (>18 years old)	Both	Peritoneal dialysis	HMDB	15796147
Human Urine	Detected and Quantified	6.0		1.3	21.4	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	6.14	5.12			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Urine	Detected and Quantified	8.332	5.36			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	16.424	6.538			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Infant (0-1 year old)	Both	Normal	HMDB	22411374
Human Sweat	Detected but not Quantified						Adult	Both	Normal	HMDB	26755145
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
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

HMDB0000163

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

47937

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Rubaltelli FF, Biadaioli R, Pecile P, Nicoletti P: Intestinal flora in breast- and bottle-fed infants. J Perinat Med. 1998;26(3):186-91. doi: 10.1515/jpme.1998.26.3.186. [PubMed:9773376 ]
Andrews RK, Suzuki-Inoue K, Shen Y, Tulasne D, Watson SP, Berndt MC: Interaction of calmodulin with the cytoplasmic domain of platelet glycoprotein VI. Blood. 2002 Jun 1;99(11):4219-21. doi: 10.1182/blood-2001-11-0008. [PubMed:12010829 ]
Hirooka EY, Muller EE, Freitas JC, Vicente E, Yoshimoto Y, Bergdoll MS: Enterotoxigenicity of Staphylococcus intermedius of canine origin. Int J Food Microbiol. 1988 Dec;7(3):185-91. doi: 10.1016/0168-1605(88)90036-0. [PubMed:3275321 ]
Daly JJ, Sherman JK, Green L, Hostetler TL: Survival of Trichomonas vaginalis in human semen. Genitourin Med. 1989 Apr;65(2):106-8. doi: 10.1136/sti.65.2.106. [PubMed:2787774 ]
Sherman JK, Hostetler TL, McHenry K, Daly JJ: Cryosurvival of Trichomonas vaginalis during cryopreservation of human semen. Cryobiology. 1991 Jun;28(3):246-50. doi: 10.1016/0011-2240(91)90029-n. [PubMed:1864083 ]
van Leeuwen L: New saccharogenic determination of alpha-amylase in serum and urine. Clin Chem. 1979 Feb;25(2):215-7. [PubMed:215341 ]
Miller LJ, Malagelada JR, Taylor WF, Go VL: Intestinal control of human postprandial gastric function: the role of components of jejunoileal chyme in regulating gastric secretion and gastric emptying. Gastroenterology. 1981 Apr;80(4):763-9. [PubMed:7202948 ]
Roy E, Stavropoulos E, Brennan J, Coade S, Grigorieva E, Walker B, Dagg B, Tascon RE, Lowrie DB, Colston MJ, Jolles S: Therapeutic efficacy of high-dose intravenous immunoglobulin in Mycobacterium tuberculosis infection in mice. Infect Immun. 2005 Sep;73(9):6101-9. doi: 10.1128/IAI.73.9.6101-6109.2005. [PubMed:16113331 ]
Wyss C, Choi BK, Schupbach P, Guggenheim B, Gobel UB: Treponema maltophilum sp. nov., a small oral spirochete isolated from human periodontal lesions. Int J Syst Bacteriol. 1996 Jul;46(3):745-52. doi: 10.1099/00207713-46-3-745. [PubMed:8782684 ]
Morse DR, Schacterle GR, Furst L, Zaydenberg M, Pollack RL: Oral digestion of a complex-carbohydrate cereal: effects of stress and relaxation on physiological and salivary measures. Am J Clin Nutr. 1989 Jan;49(1):97-105. doi: 10.1093/ajcn/49.1.97. [PubMed:2463752 ]
Yamamoto T, Kajiura S, Hirai Y, Watanabe T: Capnocytophaga haemolytica sp. nov. and Capnocytophaga granulosa sp. nov., from human dental plaque. Int J Syst Bacteriol. 1994 Apr;44(2):324-9. doi: 10.1099/00207713-44-2-324. [PubMed:8186098 ]
Zhu J, Marchant RE: Dendritic saccharide surfactant polymers as antifouling interface materials to reduce platelet adhesion. Biomacromolecules. 2006 Apr;7(4):1036-41. doi: 10.1021/bm050611p. [PubMed:16602718 ]
Lingstrom P, Birkhed D, Granfeldt Y, Bjorck I: pH measurements of human dental plaque after consumption of starchy foods using the microtouch and the sampling method. Caries Res. 1993;27(5):394-401. doi: 10.1159/000261570. [PubMed:8242677 ]
Leth-Larsen R, Holmskov U, Hojrup P: Structural characterization of human and bovine lung surfactant protein D. Biochem J. 1999 Nov 1;343 Pt 3:645-52. [PubMed:10527944 ]
Janoshazi A, Solomon AK: Initial steps of alpha- and beta-D-glucose binding to intact red cell membrane. J Membr Biol. 1993 Mar;132(2):167-78. doi: 10.1007/BF00239006. [PubMed:8496948 ]
Tiwari F, Singh DK: Behavioural responses of the snail Lymnaea acuminata to carbohydrates in snail-attractant pellets. Naturwissenschaften. 2004 Aug;91(8):378-80. doi: 10.1007/s00114-004-0538-4. Epub 2004 Jun 2. [PubMed:15309310 ]
Chiba S, Hiromi K, Minamiura N, Ohnishi M, Shimomura T, Suga K, Suganuma T, Tanaka A, Tomioka S, Yamamoto T: Quantitative study on anomeric forms of glucose produced by alpha-glucosidases. J Biochem. 1979 May;85(5):1135-41. [PubMed:376499 ]
McCue JP, Hein RH, Tenold R: Three generations of immunoglobulin G preparations for clinical use. Rev Infect Dis. 1986 Jul-Aug;8 Suppl 4:S374-81. doi: 10.1093/clinids/8.supplement_4.s374. [PubMed:3092303 ]
Dorner KM: Quantitative determination of lactose, maltose, and sucrose in urine. Eur J Pediatr. 1977 Aug 23;126(1-2):45-52. doi: 10.1007/BF00443122. [PubMed:902663 ]
Lu J, Willis AC, Reid KB: Purification, characterization and cDNA cloning of human lung surfactant protein D. Biochem J. 1992 Jun 15;284 ( Pt 3):795-802. doi: 10.1042/bj2840795. [PubMed:1339284 ]
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Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for D-Maltose (MMDBc0000051)

MOL for #<Metabolite:0x000055ebff40a3a8>

3D MOL for #<Metabolite:0x000055ebff40a3a8>

3D SDF for #<Metabolite:0x000055ebff40a3a8>

3D-SDF for #<Metabolite:0x000055ebff40a3a8>

PDB for #<Metabolite:0x000055ebff40a3a8>

3D PDB for #<Metabolite:0x000055ebff40a3a8>

SMILES for #<Metabolite:0x000055ebff40a3a8>

INCHI for #<Metabolite:0x000055ebff40a3a8>

Structure for #<Metabolite:0x000055ebff40a3a8>

3D Structure for #<Metabolite:0x000055ebff40a3a8>