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CHEBI:224781 - Colabomycin A

ChEBI IDCHEBI:224781
ChEBI NameColabomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30N2O7
Net Charge0
Average Mass530.577
Monoisotopic Mass530.20530
SMILESC/C=C/C=C\C=C\C=C\C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O
InChIInChI=1S/C30H30N2O7/c1-2-3-4-5-6-9-12-15-24(35)31-21-20-30(38,29-28(39-29)27(21)37)19-14-11-8-7-10-13-16-25(36)32-26-22(33)17-18-23(26)34/h2-16,19-20,28-29,33,38H,17-18H2,1H3,(H,31,35)(H,32,36)/b3-2+,5-4-,9-6+,10-7+,11-8+,15-12+,16-13+,19-14+/t28-,29-,30+/m1/s1
InChIKeyAVDIDFMWHMQFHM-FMXVZJJPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3182399)
ChEBI Ontology
Outgoing Relation(s)
Colabomycin A (CHEBI:224781) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6Z,8E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-9-oxonona-1,3,5,7-tetraenyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenamide
Manual XrefsDatabases
57260721ChemSpider