CHEBI:224781 - Colabomycin A

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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 Colabomycin A
ChEBI ID CHEBI:224781
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H30N2O7
Net Charge 0
Average Mass 530.577
Monoisotopic Mass 530.20530
InChI InChI=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
InChIKey AVDIDFMWHMQFHM-FMXVZJJPSA-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=C/C(=O)NC2=C(O)CCC2=O)[C@H]3[C@@H]1O3
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
57260721 ChemSpider
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