CHEBI:219541 - Colabomycin F

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 Colabomycin F
ChEBI ID CHEBI:219541
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H32N2O7
Net Charge 0
Average Mass 532.593
Monoisotopic Mass 532.22095
InChI InChI=1S/C30H32N2O7/c1-20(2)13-9-6-7-11-14-24(35)31-21-19-30(38,29-28(39-29)27(21)37)18-12-8-4-3-5-10-15-25(36)32-26-22(33)16-17-23(26)34/h3-15,18-20,28-29,33,38H,16-17H2,1-2H3,(H,31,35)(H,32,36)/b5-3+,7-6+,8-4+,13-9+,14-11+,15-10+,18-12+/t28?,29?,30-/m0/s1
InChIKey KWDRFYKPZPOOQD-LENCMZOESA-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)C3C1O3
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Colabomycin F (CHEBI:219541) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(2E,4E,6E)-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]-8-methylnona-2,4,6-trienamide
Manual Xref Database
78442837 ChemSpider
View more database links