EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133370 - prostaglandin A2(1−)

ChEBI IDCHEBI:133370
ChEBI Nameprostaglandin A2(1−)
Stars
ASCII Nameprostaglandin A2(1-)
DefinitionA prostaglandin carboxylic acid anion resulting from the removal of the proton from the carboxy group of prostaglandin A2.
Last Modified22 November 2016
Submitterabridge
DownloadsMolfile
FormulaC20H29O4
Net Charge-1
Average Mass333.448
Monoisotopic Mass333.20713
SMILESCCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/p-1/b7-4-,14-12+/t16-,17-,18+/m0/s1
InChIKeyMYHXHCUNDDAEOZ-FOSBLDSVSA-M
ChEBI Ontology
Outgoing Relation(s)
prostaglandin A2(1−) (CHEBI:133370) is a prostaglandin carboxylic acid anion (CHEBI:59326)
prostaglandin A2(1−) (CHEBI:133370) is conjugate base of prostaglandin A2 (CHEBI:27820)
Incoming Relation(s)
(R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768) has functional parent prostaglandin A2(1−) (CHEBI:133370)
(S)-PGA2-S-glutathione conjugate(2−) (CHEBI:133769) has functional parent prostaglandin A2(1−) (CHEBI:133370)
prostaglandin A2 (CHEBI:27820) is conjugate acid of prostaglandin A2(1−) (CHEBI:133370)
IUPAC Name 
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate
Synonyms  Source
PGA2SUBMITTER
prostaglandin 2SUBMITTER
(5E)-7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}hept-5-enoateChEBI
UniProt Name  Source
prostaglandin A2UniProt