(Z)-N-15-carboxypentadec-9-enoyl-L-alanine methyl ester (CHEBI:208774)

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CHEBI:208774 - (Z)-N-15-carboxypentadec-9-enoyl-L-alanine methyl ester

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ChEBI ID	CHEBI:208774
ChEBI Name	(Z)-N-15-carboxypentadec-9-enoyl-L-alanine methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H35NO5
Net Charge	0
Average Mass	369.502
Monoisotopic Mass	369.25152
SMILES	COC(=O)[C@H](C)NC(=O)CCCCCCC/C=C\CCCCCC(=O)O
InChI	InChI=1S/C20H35NO5/c1-17(20(25)26-2)21-18(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19(23)24/h4,6,17H,3,5,7-16H2,1-2H3,(H,21,22)(H,23,24)/b6-4-/t17-/m0/s1
InChIKey	JHECJXSLIKXCBD-AATOQMJSSA-N

Species of Metabolite	Component	Source	Comments
Roseovarius (ncbitaxon:74030)	-	PubMed (29261310)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(Z)-N-15-carboxypentadec-9-enoyl-L-alanine methyl ester (CHEBI:208774) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(Z)-16-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-16-oxohexadec-7-enoic acid

Manual Xrefs	Databases
64808809	ChemSpider