N-Eicosapentaenoyl Tryptophan (CHEBI:230618)

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CHEBI:230618 - N-Eicosapentaenoyl Tryptophan

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ChEBI ID	CHEBI:230618
ChEBI Name	N-Eicosapentaenoyl Tryptophan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H40N2O3
Net Charge	0
Average Mass	488.672
Monoisotopic Mass	488.30389
SMILES	CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(Cc1cnc2ccccc12)C(=O)O
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

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

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