CHEBI:176009 - Cohibin A

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 Cohibin A
ChEBI ID CHEBI:176009
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H64O4
Net Charge 0
Average Mass 548.893
Monoisotopic Mass 548.48046
InChI InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-/t31-,33+,34+/m0/s1
InChIKey GFUJWCRMULHYHE-HGDVOXMMSA-N
SMILES O[C@H](CCCCCCCCCCCCC1=C[C@@H](OC1=O)C)[C@H](O)CC/C=C\CCCCCCCCCCCC
ChEBI Ontology
Outgoing Cohibin A (CHEBI:176009) is a polyketide (CHEBI:26188)
IUPAC Name
(2S)-4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-uran-5-one
Manual Xref Database
103882703 ChemSpider
View more database links