Hmdb loader

Showing metabocard for 1-Pyrrolidinecarboxaldehyde (HMDB0034587)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:27:54 UTC
Update Date2023-02-21 17:24:19 UTC
HMDB IDHMDB0034587
Secondary Accession Numbers
  • HMDB34587
Metabolite Identification
Common Name1-Pyrrolidinecarboxaldehyde
Description1-Pyrrolidinecarboxaldehyde 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 1-Pyrrolidinecarboxaldehyde.
Structure
Data?1677000259
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)


  Mrv0541 05061307552D          

  7  7  0  0  0  0            999 V2000
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
M  END
Download

3D MOL for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)

HMDB0034587
     RDKit          3D
1-Pyrrolidinecarboxaldehyde
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.9846   -0.8492    0.2049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2589    0.1721    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438    0.0983    0.0669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0700    1.2061   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056    0.4712   -0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3453   -0.6785    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1001   -1.1288    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    1.1182   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    1.6271    0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    1.9679   -0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563    0.0937   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030    1.1002   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -1.4696    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210   -0.2839    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -1.5953    1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981   -1.8493   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  2  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
M  END
Download

3D SDF for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)


  Mrv0541 05061307552D          

  7  7  0  0  0  0            999 V2000
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034587

> <DATABASE_NAME>
hmdb

> <SMILES>
O=CN1CCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2

> <INCHI_KEY>
AGRIQBHIKABLPJ-UHFFFAOYSA-N

> <FORMULA>
C5H9NO

> <MOLECULAR_WEIGHT>
99.1311

> <EXACT_MASS>
99.068413915

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
10.661427887090861

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pyrrolidine-1-carbaldehyde

> <ALOGPS_LOGP>
-0.42

> <JCHEM_LOGP>
-0.22583743799999992

> <ALOGPS_LOGS>
0.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.31030693027657674

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
27.309800000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.01e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-formylpyrrolidine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)

HMDB0034587
     RDKit          3D
1-Pyrrolidinecarboxaldehyde
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.9846   -0.8492    0.2049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2589    0.1721    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438    0.0983    0.0669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0700    1.2061   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056    0.4712   -0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3453   -0.6785    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1001   -1.1288    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    1.1182   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    1.6271    0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    1.9679   -0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563    0.0937   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030    1.1002   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -1.4696    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210   -0.2839    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -1.5953    1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981   -1.8493   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  2  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
M  END
Download

PDB for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       1.060   2.080   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0      -0.274   4.390   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    6                                                       
CONECT    4    2    6                                                       
CONECT    5    6    7                                                       
CONECT    6    3    4    5                                                  
CONECT    7    5                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   14    0
END
Download

3D PDB for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)

COMPND    HMDB0034587
HETATM    1  O1  UNL     1       2.985  -0.849   0.205  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.259   0.172   0.033  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.844   0.098   0.067  1.00  0.00           N  
HETATM    4  C2  UNL     1      -0.070   1.206  -0.118  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.306   0.471  -0.648  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.345  -0.678   0.341  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.100  -1.129   0.298  1.00  0.00           C  
HETATM    8  H1  UNL     1       2.724   1.118  -0.143  1.00  0.00           H  
HETATM    9  H2  UNL     1      -0.364   1.627   0.879  1.00  0.00           H  
HETATM   10  H3  UNL     1       0.293   1.968  -0.799  1.00  0.00           H  
HETATM   11  H4  UNL     1      -1.056   0.094  -1.647  1.00  0.00           H  
HETATM   12  H5  UNL     1      -2.203   1.100  -0.612  1.00  0.00           H  
HETATM   13  H6  UNL     1      -2.048  -1.470   0.041  1.00  0.00           H  
HETATM   14  H7  UNL     1      -1.521  -0.284   1.361  1.00  0.00           H  
HETATM   15  H8  UNL     1       0.411  -1.595   1.257  1.00  0.00           H  
HETATM   16  H9  UNL     1       0.298  -1.849  -0.514  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    8
CONECT    3    4    7
CONECT    4    5    9   10
CONECT    5    6   11   12
CONECT    6    7   13   14
CONECT    7   15   16
END
Download

SMILES for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)

O=CN1CCCC1
Download

INCHI for HMDB0034587 (1-Pyrrolidinecarboxaldehyde)

InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-FormylpyrrolidineHMDB
1-PyrrolidinecarbaldehydeHMDB
1-Pyrrolidinecarboxaldehyde (8ci)(9ci)HMDB
N-FormylpyrrolidineHMDB
ProlinalHMDB
Pyrrolidine-1-carbaldehydeHMDB
Pyrrolidine-1-carboxaldehydeHMDB
Proline aldehydeMeSH, HMDB
Chemical FormulaC5H9NO
Average Molecular Weight99.1311
Monoisotopic Molecular Weight99.068413915
IUPAC Namepyrrolidine-1-carbaldehyde
Traditional NameN-formylpyrrolidine
CAS Registry Number3760-54-1
SMILES
O=CN1CCCC1
InChI Identifier
InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
InChI KeyAGRIQBHIKABLPJ-UHFFFAOYSA-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
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Carboxamide group
  • Azacycle
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-0.32Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility701 g/LALOGPS
logP-0.42ALOGPS
logP-0.23ChemAxon
logS0.85ALOGPS
pKa (Strongest Basic)-0.31ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area20.31 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity27.31 m³·mol⁻¹ChemAxon
Polarizability10.66 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+118.81231661259
DarkChem[M-H]-112.87831661259
DeepCCS[M+H]+127.41930932474
DeepCCS[M-H]-125.30630932474
DeepCCS[M-2H]-160.79130932474
DeepCCS[M+Na]+135.42530932474
AllCCS[M+H]+120.532859911
AllCCS[M+H-H2O]+115.632859911
AllCCS[M+NH4]+125.132859911
AllCCS[M+Na]+126.532859911
AllCCS[M-H]-120.232859911
AllCCS[M+Na-2H]-123.432859911
AllCCS[M+HCOO]-126.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-PyrrolidinecarboxaldehydeO=CN1CCCC11684.9Standard polar33892256
1-PyrrolidinecarboxaldehydeO=CN1CCCC1953.4Standard non polar33892256
1-PyrrolidinecarboxaldehydeO=CN1CCCC11084.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-Pyrrolidinecarboxaldehyde GC-MS (Non-derivatized) - 70eV, Positivesplash10-00b9-9000000000-514c159b05a0fa8bd8b32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Pyrrolidinecarboxaldehyde GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 10V, Positive-QTOFsplash10-0udi-0900000000-5587253e2404fe2be7302016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 20V, Positive-QTOFsplash10-0udi-2900000000-5836bb3419f407d7b32b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 40V, Positive-QTOFsplash10-0596-9000000000-e41b9542c88fbeccb7b22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 10V, Negative-QTOFsplash10-0002-9000000000-f26aaceb31118565e6e62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 20V, Negative-QTOFsplash10-0002-9000000000-09d8b00429a697e3eb6e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 40V, Negative-QTOFsplash10-0a5c-9000000000-d18819421f9b26ec6aae2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 10V, Negative-QTOFsplash10-0005-9000000000-9951b20cfc76df395c902021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 20V, Negative-QTOFsplash10-014m-9000000000-60f932d5255b166b852a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 40V, Negative-QTOFsplash10-00kf-9000000000-04bdb7fc4c124cc41f2d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 10V, Positive-QTOFsplash10-0udi-3900000000-f8a8660385a5ef336bfa2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 20V, Positive-QTOFsplash10-00e9-9100000000-85ace3b2bc3dc84ca53c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Pyrrolidinecarboxaldehyde 40V, Positive-QTOFsplash10-0a4i-9000000000-47a86187530845ecb6332021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB013103
KNApSAcK IDNot Available
Chemspider ID69787
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound77372
PDB IDFP6
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 References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .