CHEBI:73758 - methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate

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ChEBI Name methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate
ChEBI ID CHEBI:73758
ChEBI ASCII Name methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate
Definition A clavulone that is a chlorinated prostanoid isolated from marine corals.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H41ClO11
Net Charge 0
Average Mass 601.08200
Monoisotopic Mass 600.23374
InChI InChI=1S/C29H41ClO11/c1-7-8-9-10-11-12-16-29(41-21(5)34)17-22(30)26(36)25(29)28(40-20(4)33)27(39-19(3)32)23(38-18(2)31)14-13-15-24(35)37-6/h11-12,17,23,25,27-28H,7-10,13-16H2,1-6H3/b12-11-/t23-,25+,27+,28+,29+/m0/s1
InChIKey QCXWMBWSNWERAP-OSOZVZRNSA-N
SMILES CCCCC\C=C/C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O
ChEBI Ontology
Outgoing methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate (CHEBI:73758) is a α-chloroketone (CHEBI:51841)
methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate (CHEBI:73758) is a acetate ester (CHEBI:47622)
methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate (CHEBI:73758) is a clavulone (CHEBI:36092)
methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate (CHEBI:73758) is a methyl ester (CHEBI:25248)
IUPAC Name
methyl (5S,6R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate
Synonym Source
12S-acetoxy-punaglandin 2 LIPID MAPS
Manual Xref Database
LMFA03120030 LIPID MAPS
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Citation Waiting for Citations Type Source
7857405 PubMed citation Europe PMC
Last Modified
16 March 2015