CHEBI:34643 - clavulone II

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ChEBI Name clavulone II
ChEBI ID CHEBI:34643
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-VZCZYXORSA-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
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing clavulone II (CHEBI:34643) has role antineoplastic agent (CHEBI:35610)
clavulone II (CHEBI:34643) is a acetate ester (CHEBI:47622)
clavulone II (CHEBI:34643) is a clavulone (CHEBI:36092)
clavulone II (CHEBI:34643) is a methyl ester (CHEBI:25248)
IUPAC Name
methyl (4R,5E,7E,14Z)-4,12-bis(acetyloxy)-9-oxo-12α-prosta-5,7,10,14-tetraen-1-oate
Synonym Source
Clavulone II KEGG COMPOUND
Manual Xrefs Databases
C13812 KEGG COMPOUND
LMFA03120002 LIPID MAPS
View more database links
Registry Numbers Types Sources
3658162 Beilstein Registry Number Beilstein
85700-43-2 CAS Registry Number ChemIDplus
Last Modified
16 March 2015
General Comments
2006-07-10 The 12α configuration in the IUPAC Name refers to the octenyl side-chain of the parent prostane structure and not to the acetyloxy substituent.
2006-07-10 The 12α configuration in the IUPAC Name refers to the octenyl side-chain of the parent prostane structure and not to the acetyloxy substituent.
2006-07-10 The 12α configuration in the IUPAC Name refers to the octenyl side-chain of the parent prostane structure and not to the acetyloxy substituent.