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

Default Structure
ChEBI IDCHEBI:73758
ChEBI Namemethyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate
Stars
ASCII Namemethyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate
DefinitionA clavulone that is a chlorinated prostanoid isolated from marine corals.
Last Modified16 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC29H41ClO11
Net Charge0
Average Mass601.089
Monoisotopic Mass600.23374
SMILES[H][C@]1([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O)C(=O)C(Cl)=C[C@@]1(C/C=C\CCCCC)OC(C)=O
InChIInChI=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
InChIKeyQCXWMBWSNWERAP-OSOZVZRNSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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)
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 2LIPID MAPS
Manual XrefsDatabases
LMFA03120030LIPID MAPS
Citations