Cyrmenin B2 (CHEBI:227287)

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CHEBI:227287 - Cyrmenin B2

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ChEBI ID	CHEBI:227287
ChEBI Name	Cyrmenin B2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H32N2O5
Net Charge	0
Average Mass	392.496
Monoisotopic Mass	392.23112
SMILES	C=C(NC(=O)/C(C)=C/C=C\CCCCC(C)C)C(=O)N/C(=C\OC)C(=O)OC
InChI	InChI=1S/C21H32N2O5/c1-15(2)12-10-8-7-9-11-13-16(3)19(24)22-17(4)20(25)23-18(14-27-5)21(26)28-6/h9,11,13-15H,4,7-8,10,12H2,1-3,5-6H3,(H,22,24)(H,23,25)/b11-9-,16-13+,18-14-
InChIKey	PERDMKQFFPTEJL-PFSSXTEVSA-N

Species of Metabolite	Component	Source	Comments
Cystobacter armeniaca (ncbitaxon:394090)	-	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 B2 (CHEBI:227287) is a peptide (CHEBI:16670)

IUPAC Name
methyl (Z)-2-[2-[[(2E,4Z)-2,10-dimethylundeca-2,4-dienoyl]amino]prop-2-enoylamino]-3-methoxyprop-2-enoate

Manual Xrefs	Databases
9363605	ChemSpider