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Showing metabocard for 2R-Hydroxymethyl-3S-hydroxypyrolidine (HMDB0304601)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 11:01:54 UTC
Update Date2021-09-24 11:01:54 UTC
HMDB IDHMDB0304601
Secondary Accession NumbersNone
Metabolite Identification
Common Name2R-Hydroxymethyl-3S-hydroxypyrolidine
Description(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. Based on a literature review very few articles have been published on (2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)


  Mrv1652310111718122D          

  8  8  0  0  0  0            999 V2000
   -2.4330    1.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8455    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205    0.1464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7656    0.9310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9810    1.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679    0.6339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -0.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  4  8  1  1  0  0  0
M  END
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3D MOL for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)

HMDB0304601
     RDKit          3D
2R-Hydroxymethyl-3S-hydroxypyrolidine
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.0139    0.0684    1.6137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8728    0.0416    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671   -0.1471   -0.2208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1529   -1.3535    0.2088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434   -1.1627   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932    0.3172   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858    0.8860    0.3525 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2417    2.1582   -0.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682   -0.1770    1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    1.0272   -0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019   -0.7227   -0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -0.0729   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2516   -2.2262   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2442   -1.6663    0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -1.6212   -1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670    0.6478    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8135    0.6424   -1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694    0.7925    1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301    2.5682    0.5268 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
  7  3  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  6
  4 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  1
  8 19  1  0
M  END
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3D SDF for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)


  Mrv1652310111718122D          

  8  8  0  0  0  0            999 V2000
   -2.4330    1.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8455    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205    0.1464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7656    0.9310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9810    1.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679    0.6339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -0.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  4  8  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0304601

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1NCC[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO2/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1

> <INCHI_KEY>
TYLFLHPQWQQWRD-UHNVWZDZSA-N

> <FORMULA>
C5H11NO2

> <MOLECULAR_WEIGHT>
117.148

> <EXACT_MASS>
117.078978598

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
12.295333857732496

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol

> <ALOGPS_LOGP>
-1.33

> <JCHEM_LOGP>
-1.56511356

> <ALOGPS_LOGS>
0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
15.24753709743226

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.379323518188635

> <JCHEM_PKA_STRONGEST_BASIC>
10.064742118692168

> <JCHEM_POLAR_SURFACE_AREA>
52.489999999999995

> <JCHEM_REFRACTIVITY>
29.514799999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.77e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)

HMDB0304601
     RDKit          3D
2R-Hydroxymethyl-3S-hydroxypyrolidine
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.0139    0.0684    1.6137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8728    0.0416    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671   -0.1471   -0.2208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1529   -1.3535    0.2088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434   -1.1627   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932    0.3172   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858    0.8860    0.3525 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2417    2.1582   -0.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682   -0.1770    1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    1.0272   -0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019   -0.7227   -0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -0.0729   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2516   -2.2262   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2442   -1.6663    0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -1.6212   -1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670    0.6478    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8135    0.6424   -1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694    0.7925    1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301    2.5682    0.5268 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
  7  3  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  6
  4 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  1
  8 19  1  0
M  END
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PDB for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)

HEADER    PROTEIN                                 11-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-OCT-17         0                                  
HETATM    1  N   UNK     0      -4.542   2.643   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -5.787   1.738   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.312   0.273   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.772   0.273   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.296   1.738   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.831   2.214   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.687   1.183   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -2.866  -0.972   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    3    1                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    1    6                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    4                                                            
MASTER        0    0    0    0    0    0    0    0    8    0   16    0
END
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3D PDB for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)

COMPND    HMDB0304601
HETATM    1  O1  UNL     1       2.014   0.068   1.614  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.873   0.042   0.251  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.467  -0.147  -0.221  1.00  0.00           C  
HETATM    4  N1  UNL     1      -0.153  -1.354   0.209  1.00  0.00           N  
HETATM    5  C3  UNL     1      -1.543  -1.163  -0.172  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.793   0.317  -0.202  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.486   0.886   0.352  1.00  0.00           C  
HETATM    8  O2  UNL     1      -0.242   2.158  -0.083  1.00  0.00           O  
HETATM    9  H1  UNL     1       2.968  -0.177   1.821  1.00  0.00           H  
HETATM   10  H2  UNL     1       2.223   1.027  -0.162  1.00  0.00           H  
HETATM   11  H3  UNL     1       2.502  -0.723  -0.209  1.00  0.00           H  
HETATM   12  H4  UNL     1       0.438  -0.073  -1.312  1.00  0.00           H  
HETATM   13  H5  UNL     1       0.252  -2.226  -0.151  1.00  0.00           H  
HETATM   14  H6  UNL     1      -2.244  -1.666   0.530  1.00  0.00           H  
HETATM   15  H7  UNL     1      -1.656  -1.621  -1.197  1.00  0.00           H  
HETATM   16  H8  UNL     1      -2.667   0.648   0.356  1.00  0.00           H  
HETATM   17  H9  UNL     1      -1.814   0.642  -1.276  1.00  0.00           H  
HETATM   18  H10 UNL     1      -0.569   0.792   1.461  1.00  0.00           H  
HETATM   19  H11 UNL     1       0.430   2.568   0.527  1.00  0.00           H  
CONECT    1    2    9
CONECT    2    3   10   11
CONECT    3    4    7   12
CONECT    4    5   13
CONECT    5    6   14   15
CONECT    6    7   16   17
CONECT    7    8   18
CONECT    8   19
END
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SMILES for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)

OC[C@H]1NCC[C@@H]1O
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INCHI for HMDB0304601 (2R-Hydroxymethyl-3S-hydroxypyrolidine)

InChI=1S/C5H11NO2/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(2R,3S)-3-Hydroxy-2-pyrrolidinemethanolPhytoBank
(2R,3S)-2-(Hydroxymethyl)-3-hydroxypyrrolidinePhytoBank
(2R,3S)-2-(Hydroxymethyl)pyrrolidin-3-olPhytoBank
(2R,3S)-3-Hydroxy-2-hydroxymethylpyrrolidinePhytoBank
2R-Hydroxymethyl-3S-hydroxypyrolidinePhytoBank
CYB 3PhytoBank
CYB-3PhytoBank
Chemical FormulaC5H11NO2
Average Molecular Weight117.148
Monoisotopic Molecular Weight117.078978598
IUPAC Name(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
Traditional Name(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
CAS Registry NumberNot Available
SMILES
OC[C@H]1NCC[C@@H]1O
InChI Identifier
InChI=1S/C5H11NO2/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1
InChI KeyTYLFLHPQWQQWRD-UHNVWZDZSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyrrolidines
Sub ClassNot Available
Direct ParentPyrrolidines
Alternative Parents
Substituents
  • Pyrrolidine
  • Secondary alcohol
  • 1,2-aminoalcohol
  • Azacycle
  • Secondary amine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.3ALOGPS
logP-1.6ChemAxon
logS0.82ALOGPS
pKa (Strongest Acidic)14.38ChemAxon
pKa (Strongest Basic)10.06ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area52.49 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity29.51 m³·mol⁻¹ChemAxon
Polarizability12.3 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+126.20732859911
AllCCS[M+H-H2O]+121.42432859911
AllCCS[M+Na]+131.96332859911
AllCCS[M+NH4]+130.67332859911
AllCCS[M-H]-121.51732859911
AllCCS[M+Na-2H]-124.08532859911
AllCCS[M+HCOO]-126.94432859911
DeepCCS[M+H]+128.06630932474
DeepCCS[M-H]-126.08930932474
DeepCCS[M-2H]-161.67630932474
DeepCCS[M+Na]+136.23730932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2R-Hydroxymethyl-3S-hydroxypyrolidine,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C)CCN1[Si](C)(C)C1430.8Semi standard non polar33892256
2R-Hydroxymethyl-3S-hydroxypyrolidine,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C)CCN1[Si](C)(C)C1538.8Standard non polar33892256
2R-Hydroxymethyl-3S-hydroxypyrolidine,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C)CCN1[Si](C)(C)C1547.5Standard polar33892256
2R-Hydroxymethyl-3S-hydroxypyrolidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCN1[Si](C)(C)C(C)(C)C2098.8Semi standard non polar33892256
2R-Hydroxymethyl-3S-hydroxypyrolidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCN1[Si](C)(C)C(C)(C)C2166.5Standard non polar33892256
2R-Hydroxymethyl-3S-hydroxypyrolidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCN1[Si](C)(C)C(C)(C)C1971.1Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 10V, Positive-QTOFsplash10-0uxr-1900000000-319a40a1f46562525e7d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 20V, Positive-QTOFsplash10-0ue9-7900000000-4b0d6e4dc71d5c199de32019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 40V, Positive-QTOFsplash10-0f89-9100000000-e75af6b7bb32704c25c92019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 10V, Negative-QTOFsplash10-014i-7900000000-75ce7e90466c2ad503082019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 20V, Negative-QTOFsplash10-014s-9100000000-d8f2bf9e3c4dea1e48502019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 40V, Negative-QTOFsplash10-0673-9000000000-1faa9f8ac284310de0c62019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 10V, Positive-QTOFsplash10-0gb9-2900000000-74c9aa915cf652e90e992021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 20V, Positive-QTOFsplash10-001i-9100000000-bbba2afb35f83de5d4e92021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 40V, Positive-QTOFsplash10-0006-9000000000-43fe9b66b37e081910562021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 10V, Negative-QTOFsplash10-014r-9400000000-ff92445a5bf5947e6cdf2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 20V, Negative-QTOFsplash10-014i-9000000000-d99c1338ed15d1a687c72021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2R-Hydroxymethyl-3S-hydroxypyrolidine 40V, Negative-QTOFsplash10-0a4i-9000000000-779893b9335066cefa852021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB093551
KNApSAcK IDNot Available
Chemspider ID9248540
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11073391
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available