Asukamycin B-II (CHEBI:208595)

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CHEBI:208595 - Asukamycin B-II

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ChEBI ID	CHEBI:208595
ChEBI Name	Asukamycin B-II
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H32N2O7
Net Charge	0
Average Mass	508.571
Monoisotopic Mass	508.22095
SMILES	CC(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/C28H32N2O7/c1-19(2)11-7-3-4-8-12-25(35)29-20-18-28(37,24(34)17-23(20)33)16-10-6-5-9-13-26(36)30-27-21(31)14-15-22(27)32/h3-13,16,18-19,24,31,34,37H,14-15,17H2,1-2H3,(H,29,35)(H,30,36)/b4-3+,6-5+,11-7+,12-8+,13-9+,16-10+/t24-,28+/m1/s1
InChIKey	LSFIXVDQSXFCAE-JTTVFUBRSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Asukamycin B-II (CHEBI:208595) 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]-8-methylnona-2,4,6-trienamide

Manual Xrefs	Databases
78440240	ChemSpider