Cyrmenin A (CHEBI:213375)

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CHEBI:213375 - Cyrmenin A

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ChEBI ID	CHEBI:213375
ChEBI Name	Cyrmenin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H34N2O5
Net Charge	0
Average Mass	406.523
Monoisotopic Mass	406.24677
SMILES	C=C(NC(=O)/C(C)=C/C=C\CCCCCC(C)C)C(=O)N/C(=C\OC)C(=O)OC
InChI	InChI=1S/C22H34N2O5/c1-16(2)13-11-9-7-8-10-12-14-17(3)20(25)23-18(4)21(26)24-19(15-28-5)22(27)29-6/h10,12,14-16H,4,7-9,11,13H2,1-3,5-6H3,(H,23,25)(H,24,26)/b12-10-,17-14+,19-15-
InChIKey	VCWYTXXFJMLXBV-PBYGZRPHSA-N

Species of Metabolite	Component	Source	Comments
Cystobacter (ncbitaxon:42)	-	PubMed (14700275)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Cyrmenin A (CHEBI:213375) is a peptide (CHEBI:16670)

IUPAC Name
methyl (Z)-2-[2-[[(2E,4Z)-2,11-dimethyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]-3-methoxyprop-2-enoate

Manual Xrefs	Databases
9661400	ChemSpider