Cyrmenin B1 (CHEBI:188564)

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CHEBI:188564 - Cyrmenin B1

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ChEBI ID	CHEBI:188564
ChEBI Name	Cyrmenin B1
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\CCCCCCC)C(=O)N/C(=C\OC)C(=O)OC
InChI	InChI=1S/C21H32N2O5/c1-6-7-8-9-10-11-12-13-14-16(2)19(24)22-17(3)20(25)23-18(15-27-4)21(26)28-5/h12-15H,3,6-11H2,1-2,4-5H3,(H,22,24)(H,23,25)/b13-12-,16-14+,18-15-
InChIKey	WCQZHMYXJPCKJF-YKISTCFVSA-N

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cyrmenin B1 (CHEBI:188564) is a peptide (CHEBI:16670)

IUPAC Name
methyl (Z)-3-methoxy-2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate

Manual Xrefs	Databases
9444383	ChemSpider