Zopfiellamide B (CHEBI:227042)

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CHEBI:227042 - Zopfiellamide B

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ChEBI ID	CHEBI:227042
ChEBI Name	Zopfiellamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H37NO6
Net Charge	0
Average Mass	459.583
Monoisotopic Mass	459.26209
SMILES	CCC(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/C26H37NO6/c1-5-16(3)26(33,25(31)32)14-20-23(29)22(24(30)27(20)4)21(28)13-12-18-15(2)10-11-17-8-6-7-9-19(17)18/h10-13,15-20,28,33H,5-9,14H2,1-4H3,(H,31,32)/b13-12+,22-21?/t15-,16?,17+,18-,19-,20?,26?/m0/s1
InChIKey	VLOSGEBNEZBLPE-YFIMHYGWSA-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 B (CHEBI:227042) 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-methylpentanoic acid

Manual Xrefs	Databases
78445231	ChemSpider