CHEBI:208595 - Asukamycin B-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 B-II
ChEBI ID CHEBI:208595
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32N2O7
Net Charge 0
Average Mass 508.571
Monoisotopic Mass 508.22095
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
SMILES O=C1C(NC(=O)/C=C/C=C/C=C/C(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 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 Xref Database
78440240 ChemSpider
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