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CHEBI:27820 - prostaglandin A2

ChEBI IDCHEBI:27820
ChEBI Nameprostaglandin A2
Stars
ASCII Nameprostaglandin A2
Secondary ChEBI IDsCHEBI:8505, CHEBI:26315
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
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)/b7-4-,14-12+/t16-,17-,18+/m0/s1
InChIKeyMYHXHCUNDDAEOZ-FOSBLDSVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
prostaglandin A2 (CHEBI:27820) has role human metabolite (CHEBI:77746)
prostaglandin A2 (CHEBI:27820) is a prostaglandins A (CHEBI:26334)
prostaglandin A2 (CHEBI:27820) is conjugate acid of prostaglandin A2(1−) (CHEBI:133370)
Incoming Relation(s)
(R)-PGA2-S-glutathione conjugate (CHEBI:136105) has functional parent prostaglandin A2 (CHEBI:27820)
(S)-PGA2-S-glutathione conjugate (CHEBI:136106) has functional parent prostaglandin A2 (CHEBI:27820)
15-deoxy-Δ12,14-prostaglandin A2 (CHEBI:63975) has functional parent prostaglandin A2 (CHEBI:27820)
prostaglandin A2(1−) (CHEBI:133370) is conjugate base of prostaglandin A2 (CHEBI:27820)
IUPAC Name 
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid
Synonyms  Source
Prostaglandin A2KEGG COMPOUND
PGA2KEGG COMPOUND
MedullinKEGG COMPOUND
(15S)-PGA2ChemIDplus
(15S)-Prostaglandin A2ChemIDplus
5,6-cis-PGA2ChemIDplus
Manual XrefsDatabases
C05953KEGG COMPOUND
LMFA03010035LIPID MAPS
Registry NumbersSources
CAS:13345-50-1ChemIDplus