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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-08 21:50:43 UTC
Update Date2021-09-14 15:45:47 UTC
HMDB IDHMDB0029234
Secondary Accession Numbers
  • HMDB29234
Metabolite Identification
Common NameN-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid
DescriptionN-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid.
Structure
Data?1582753390
Synonyms
ValueSource
N-[4'-Hydroxy-(e)-cinnamoyl]-L-aspartateGenerator
2-{[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butanedioateGenerator
p-Coumaroyl aspartateGenerator
Chemical FormulaC13H13NO6
Average Molecular Weight279.2454
Monoisotopic Molecular Weight279.074287153
IUPAC Name2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butanedioic acid
Traditional Name2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butanedioic acid
CAS Registry NumberNot Available
SMILES
OC(=O)CC(NC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+
InChI KeyFKBRNPNAUOXZMQ-ZZXKWVIFSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAspartic acid and derivatives
Alternative Parents
Substituents
  • Aspartic acid or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Cinnamic acid amide
  • Cinnamic acid or derivatives
  • Coumaric acid or derivatives
  • Hydroxycinnamic acid or derivatives
  • Styrene
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Dicarboxylic acid or derivatives
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Spectral PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.42 g/LALOGPS
logP10(1.13) g/LALOGPS
logP10(0.65) g/LChemAxon
logS10(-2.8) g/LALOGPS
pKa (Strongest Acidic)3.45ChemAxon
pKa (Strongest Basic)-0.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area123.93 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity68.37 m³·mol⁻¹ChemAxon
Polarizability26.94 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#1C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O2853.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#2C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NC(CC(=O)O)C(=O)O)C=C12857.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#3C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O)C=C12844.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#4C[Si](C)(C)N(C(=O)/C=C/C1=CC=C(O)C=C1)C(CC(=O)O)C(=O)O2873.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#1C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2884.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#2C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2852.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#3C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C2865.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#4C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C12865.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#5C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C=C12890.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#6C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C2876.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#1C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2841.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#2C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C2854.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#3C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C2807.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#4C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C2862.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O3121.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#2CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NC(CC(=O)O)C(=O)O)C=C13130.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O)C=C13128.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#4CC(C)(C)[Si](C)(C)N(C(=O)/C=C/C1=CC=C(O)C=C1)C(CC(=O)O)C(=O)O3151.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3462.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3380.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3374.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C13450.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#5CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C13440.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3384.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3640.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3626.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3526.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3621.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#1C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O2853.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#2C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NC(CC(=O)O)C(=O)O)C=C12857.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#3C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O)C=C12844.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TMS,#4C[Si](C)(C)N(C(=O)/C=C/C1=CC=C(O)C=C1)C(CC(=O)O)C(=O)O2873.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#1C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2884.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#2C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2852.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#3C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C2865.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#4C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C12865.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#5C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C=C12890.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TMS,#6C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C2876.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#1C[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2841.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#2C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C2854.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#3C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C2807.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TMS,#4C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C2862.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O3121.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#2CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NC(CC(=O)O)C(=O)O)C=C13130.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O)C=C13128.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,1TBDMS,#4CC(C)(C)[Si](C)(C)N(C(=O)/C=C/C1=CC=C(O)C=C1)C(CC(=O)O)C(=O)O3151.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3462.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3380.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3374.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C13450.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#5CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C13440.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,2TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3384.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3640.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3626.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)/C=C/C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3526.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,3TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3621.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Diabetes mellitus
details
Associated Disorders and Diseases
Disease References
Diabetes mellitus type 2
  1. Llorach R, Urpi-Sarda M, Tulipani S, Garcia-Aloy M, Monagas M, Andres-Lacueva C: Metabolomic fingerprint in patients at high risk of cardiovascular disease by cocoa intervention. Mol Nutr Food Res. 2013 Jun;57(6):962-73. doi: 10.1002/mnfr.201200736. Epub 2013 May 2. [PubMed:23637065 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound ID552
FooDB IDFDB000299
KNApSAcK IDNot Available
Chemspider ID32175166
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound24891369
PDB IDNot Available
ChEBI ID174662
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