CHEBI:15545 - prostaglandin A1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name prostaglandin A1
ChEBI ID CHEBI:15545
ChEBI ASCII Name prostaglandin A1
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10821, CHEBI:143, CHEBI:26314
Supplier Information ChemicalBook:CB01236079
Download Molfile XML SDF
Formula C20H32O4
Net Charge 0
Average Mass 336.46568
Monoisotopic Mass 336.23006
InChI InChI=1S/C20H32O4/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/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
InChIKey BGKHCLZFGPIKKU-LDDQNKHRSA-N
SMILES CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
ChEBI Ontology
Outgoing prostaglandin A1 (CHEBI:15545) is a prostaglandins A (CHEBI:26334)
prostaglandin A1 (CHEBI:15545) is conjugate acid of prostaglandin A1(1−) (CHEBI:57398)
Incoming 15-dehydroprostaglandin A1 (CHEBI:85552) has functional parent prostaglandin A1 (CHEBI:15545)
20-hydroxyprostaglandin A1 (CHEBI:137529) has functional parent prostaglandin A1 (CHEBI:15545)
nonacosanoic acid (CHEBI:84867) is a prostaglandin A1 (CHEBI:15545)
prostaglandin A1(1−) (CHEBI:57398) is conjugate base of prostaglandin A1 (CHEBI:15545)
IUPAC Name
(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid
Synonyms Sources
(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate KEGG COMPOUND
PGA1 KEGG COMPOUND
PGA1 ChEBI
Prostaglandin A1 KEGG COMPOUND
Manual Xrefs Databases
8PG PDBeChem
C04685 KEGG COMPOUND
LMFA03010005 LIPID MAPS
View more database links
Registry Numbers Types Sources
14152-28-4 CAS Registry Number KEGG COMPOUND
14152-28-4 CAS Registry Number ChemIDplus
Last Modified
30 January 2019