Asukamycin C-II (CHEBI:200001)

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CHEBI:200001 - Asukamycin C-II

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ChEBI ID	CHEBI:200001
ChEBI Name	Asukamycin C-II
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H34N2O7
Net Charge	0
Average Mass	522.598
Monoisotopic Mass	522.23660
SMILES	CC(C)C/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
InChI	InChI=1S/C29H34N2O7/c1-20(2)12-8-4-3-5-9-13-26(36)30-21-19-29(38,25(35)18-24(21)34)17-11-7-6-10-14-27(37)31-28-22(32)15-16-23(28)33/h3-11,13-14,17,19-20,25,32,35,38H,12,15-16,18H2,1-2H3,(H,30,36)(H,31,37)/b5-3+,7-6+,8-4+,13-9+,14-10+,17-11+/t25-,29+/m1/s1
InChIKey	FGASRROETNYTGG-UXDZRWCCSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (11426658)

ChEBI Ontology

Outgoing Relation(s)
	Asukamycin C-II (CHEBI:200001) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(2E,4E,6E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-9-methyldeca-2,4,6-trienamide

Manual Xrefs	Databases
78440063	ChemSpider