CHEBI:34645 - clavulone IV

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name clavulone IV
ChEBI ID CHEBI:34645
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H34O7
Net Charge 0
Average Mass 446.53326
Monoisotopic Mass 446.23045
InChI InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13+/t21-,25-/m0/s1
InChIKey QXSYLWTUKSQQCP-FKVRNRQVSA-N
SMILES CCCCC\C=C/C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C/[C@@H](CCC(=O)OC)OC(C)=O
ChEBI Ontology
Outgoing clavulone IV (CHEBI:34645) is a acetate ester (CHEBI:47622)
clavulone IV (CHEBI:34645) is a clavulone (CHEBI:36092)
clavulone IV (CHEBI:34645) is a methyl ester (CHEBI:25248)
IUPAC Name
methyl (4R,5Z,7Z,14Z)-4,12-diacetoxy-9-oxo-12α-prosta-5,7,10,14-tetraen-1-oate
Synonym Source
Clavulone IV KEGG COMPOUND
Manual Xrefs Databases
C13814 KEGG COMPOUND
LMFA03120004 LIPID MAPS
View more database links
Registry Number Type Source
85611-86-5 CAS Registry Number KEGG COMPOUND
Last Modified
16 March 2015
General Comment
2006-07-23 The 12alpha configuration in the IUPAC Name refers to the octenyl side-chain of the parent prostane structure and not to the acetyloxy substituent.