MiMeDB: Showing metabocard for Fumagillin (MMDBc0010556)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:41:37 UTC

Update Date

2024-10-11 00:15:43 UTC

Metabolite ID

MMDBc0010556

Metabolite Identification

Common Name

Fumagillin

Description

Fumagillin, also known as fumidil, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, fumagillin is considered to be an isoprenoid lipid molecule. Fumagillin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304061700212D          

 33 35  0  0  1  0            999 V2000
    1.9520    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3465    2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608    1.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825    2.3717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1997    3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    3.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943    4.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640    4.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3145   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7895   -2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7895   -3.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  6  0  0  0
 11 13  1  6  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  4 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END


  Mrv1652304061700212D          

 33 35  0  0  1  0            999 V2000
    1.9520    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3465    2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608    1.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825    2.3717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1997    3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    3.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943    4.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640    4.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3145   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7895   -2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7895   -3.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  6  0  0  0
 11 13  1  6  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  4 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0010556

> <DATABASE_NAME>
MIME

> <SMILES>
CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1

> <INCHI_KEY>
NGGMYCMLYOUNGM-CSDLUJIJSA-N

> <FORMULA>
C26H34O7

> <MOLECULAR_WEIGHT>
458.551

> <EXACT_MASS>
458.230453435

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
51.132769198335275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E,6E,8E)-10-{[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid

> <ALOGPS_LOGP>
4.61

> <JCHEM_LOGP>
4.048655004333334

> <ALOGPS_LOGS>
-5.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.884221257749687

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7145709603878383

> <JCHEM_POLAR_SURFACE_AREA>
97.88999999999999

> <JCHEM_REFRACTIVITY>
128.3748

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.30e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fumagillin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-APR-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-17         0                                  
HETATM    1  C   UNK     0       3.644   4.771   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.414   3.437   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.644  -0.564   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   3.437   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.513   4.427   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.113   2.911   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.154   4.427   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.373   5.874   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.889   6.142   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.416   7.589   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.933   7.856   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.426   8.769   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.954   0.770   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.954  -1.897   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.264  -0.564   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.034  -1.897   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.574  -1.897   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.344  -3.231   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.884  -3.231   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.654  -4.565   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      15.194  -4.565   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.964  -5.898   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      17.504  -5.898   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      18.274  -4.565   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      18.274  -7.232   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5   20                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7    9                                                       
CONECT    9    8    7                                                       
CONECT   10    7    3   11                                                  
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   11   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    4   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

Synonyms

Value	Source
2,4,6,8-Decatetraenedioic acid, 4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro(2,5)oct-6-yl ester	ChEBI
Fugillin	ChEBI
Fumagilina	ChEBI
Fumagilline	ChEBI
Fumagillinum	ChEBI
Fumidil	ChEBI
2,4,6,8-Decatetraenedioate, 4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro(2,5)oct-6-yl ester	Generator
Fumidil b	MeSH

Molecular Formula

C₂₆H₃₄O₇

Average Mass

458.551

Monoisotopic Mass

458.230453435

IUPAC Name

(2E,4E,6E,8E)-10-{[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid

Traditional Name

fumagillin

CAS Registry Number

Not Available

SMILES

CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O

InChI Identifier

InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1

InChI Key

NGGMYCMLYOUNGM-CSDLUJIJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents

Medium-chain fatty acid
Branched fatty acid
Epoxy fatty acid
Fatty acid ester
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Unsaturated fatty acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

dicarboxylic acid monoester (CHEBI:48635 )
antibiotic antifungal drug (CHEBI:48635 )
carboxylic ester (CHEBI:48635 )
epoxide (CHEBI:48635 )
organooxygen heterocyclic antibiotic (CHEBI:48635 )
oxaspiro compound (CHEBI:48635 )
meroterpenoid (CHEBI:48635 )
Bisabolane sesquiterpenoids (LMPR0103060003 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.0033 g/L	ALOGPS
logP	4.61	ALOGPS
logP	4.05	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	4.88	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	97.89 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	128.37 m³·mol⁻¹	ChemAxon
Polarizability	51.13 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4l-0532900000-58570b780f981d2f84c1	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-6934200000-8bd25782e4fbb98f8b82	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0pw9-9520000000-813c35db19d9a8ca8b59	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0433900000-377cd105f8678bc71d25	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-07f3-1972400000-5bb94564613573ff7169	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0ar3-5930000000-d0d92bc92d4734ccd33c	2017-07-26	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

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

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

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	3	Human sputum; Human feces; Human	Metabolic reconstruction

Exposure Sources

Source Type	Activity	Data Source	Reference
Not Available	Mycotoxins	U.S. Environmental Protection Agency	CompTox
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Blood	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	31557052

External Links

HMDB ID

Not Available

DrugBank ID

DB02640

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00003133

Chemspider ID

Not Available

KEGG Compound ID

C09668

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Fumagillin

METLIN ID

Not Available

PubChem Compound

6917655

PDB ID

Not Available

ChEBI ID

48635

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Fumagillin (MMDBc0010556)

MOL for #<Metabolite:0x00007fdb50a334b8>

3D MOL for #<Metabolite:0x00007fdb50a334b8>

3D SDF for #<Metabolite:0x00007fdb50a334b8>

3D-SDF for #<Metabolite:0x00007fdb50a334b8>

PDB for #<Metabolite:0x00007fdb50a334b8>

3D PDB for #<Metabolite:0x00007fdb50a334b8>

SMILES for #<Metabolite:0x00007fdb50a334b8>

INCHI for #<Metabolite:0x00007fdb50a334b8>

Structure for #<Metabolite:0x00007fdb50a334b8>

3D Structure for #<Metabolite:0x00007fdb50a334b8>