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CHEBI:219532 - Colabomycin E

ChEBI IDCHEBI:219532
ChEBI NameColabomycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H32N2O7
Net Charge0
Average Mass556.615
Monoisotopic Mass556.22095
SMILESC/C=C/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)C2OC2C1=O
InChIInChI=1S/C32H32N2O7/c1-2-3-4-5-6-7-8-11-14-17-26(37)33-23-22-32(40,31-30(41-31)29(23)39)21-16-13-10-9-12-15-18-27(38)34-28-24(35)19-20-25(28)36/h2-18,21-22,30-31,35,40H,19-20H2,1H3,(H,33,37)(H,34,38)/b3-2+,5-4-,7-6+,11-8+,12-9+,13-10+,17-14+,18-15+,21-16+/t30?,31?,32-/m0/s1
InChIKeyUQUWECQGNYCQSQ-MRNGIOIPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24838618)
ChEBI Ontology
Outgoing Relation(s)
Colabomycin E (CHEBI:219532) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6E,8Z,10E)-N-[(5S)-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]dodeca-2,4,6,8,10-pentaenamide
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78442836ChemSpider