Asukamycin D-II (CHEBI:211173)

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CHEBI:211173 - Asukamycin D-II

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ChEBI ID	CHEBI:211173
ChEBI Name	Asukamycin D-II
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H34N2O7
Net Charge	0
Average Mass	522.598
Monoisotopic Mass	522.23660
SMILES	CCC(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/c1-3-20(2)12-8-4-5-9-13-26(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/h4-14,17,19-20,25,32,35,38H,3,15-16,18H2,1-2H3,(H,30,36)(H,31,37)/b5-4+,7-6+,12-8+,13-9+,14-10+,17-11+/t20?,25-,29+/m1/s1
InChIKey	LHAQTPBTDMVKHL-YUBFNVHPSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Asukamycin D-II (CHEBI:211173) 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-methyldeca-2,4,6-trienamide

Manual Xrefs	Databases
78440247	ChemSpider