Zopfiellamide A (CHEBI:215063)

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CHEBI:215063 - Zopfiellamide A

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ChEBI ID	CHEBI:215063
ChEBI Name	Zopfiellamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H35NO6
Net Charge	0
Average Mass	445.556
Monoisotopic Mass	445.24644
SMILES	CC(C)C(O)(CC1C(=O)C(=C(O)/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C=C[C@@H]2C)C(=O)N1C)C(=O)O
InChI	InChI=1S/C25H35NO6/c1-14(2)25(32,24(30)31)13-19-22(28)21(23(29)26(19)4)20(27)12-11-17-15(3)9-10-16-7-5-6-8-18(16)17/h9-12,14-19,27,32H,5-8,13H2,1-4H3,(H,30,31)/b12-11+,21-20?/t15-,16+,17-,18-,19?,25?/m0/s1
InChIKey	HYGFSUQJOBSOGP-YBIQCROSSA-N

Species of Metabolite	Component	Source	Comments
Zopfiella (ncbitaxon:252180)	-	DOI (10.1016/s0040-4020(02)00942-0)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Zopfiellamide A (CHEBI:215063) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
2-[[4-[(E)-3-[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-1-hydroxyprop-2-enylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-2-hydroxy-3-methylbutanoic acid

Manual Xrefs	Databases
78437530	ChemSpider