CHEBI:230618 - N-Eicosapentaenoyl Tryptophan

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-Eicosapentaenoyl Tryptophan
ChEBI ID CHEBI:230618
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H40N2O3
Net Charge 0
Average Mass 488.672
Monoisotopic Mass 488.30389
InChI InChI=1S/C31H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(34)33-29(31(35)36)24-26-25-32-28-22-20-19-21-27(26)28/h3-4,6-7,9-10,12-13,15-16,19-22,25,29,32H,2,5,8,11,14,17-18,23-24H2,1H3,(H,33,34)(H,35,36)/b4-3+,7-6+,10-9+,13-12+,16-15+
InChIKey YZGJMCYDDFORAO-RCHUDCCISA-N
SMILES OC(=O)C(NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)CC=1C=2C(NC1)=CC=CC2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-Eicosapentaenoyl Tryptophan (CHEBI:230618) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual Xref Database
128530299 ChemSpider
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