CHEBI:200001 - Asukamycin C-II

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asukamycin C-II
ChEBI ID CHEBI:200001
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H34N2O7
Net Charge 0
Average Mass 522.598
Monoisotopic Mass 522.23660
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
SMILES O=C1C(NC(=O)/C=C/C=C/C=C/CC(C)C)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H](C1)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78440063 ChemSpider
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