N-Eicosapentaenoyl Lysine (CHEBI:231194)

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CHEBI:231194 - N-Eicosapentaenoyl Lysine

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ChEBI ID	CHEBI:231194
ChEBI Name	N-Eicosapentaenoyl Lysine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H42N2O3
Net Charge	0
Average Mass	430.633
Monoisotopic Mass	430.31954
SMILES	CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(CCCCN)C(=O)O
InChI	InChI=1S/C26H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)28-24(26(30)31)21-19-20-23-27/h3-4,6-7,9-10,12-13,15-16,24H,2,5,8,11,14,17-23,27H2,1H3,(H,28,29)(H,30,31)/b4-3+,7-6+,10-9+,13-12+,16-15+
InChIKey	MSNQFSCAMQLJIK-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 Lysine (CHEBI:231194) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
6-amino-2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]hexanoic acid

Manual Xrefs	Databases
128530293	ChemSpider