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CHEBI:15545 - prostaglandin A1

ChEBI IDCHEBI:15545
ChEBI Nameprostaglandin A1
Stars
ASCII Nameprostaglandin A1
Secondary ChEBI IDsCHEBI:143, CHEBI:10821, CHEBI:26314
Last Modified30 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O
InChIInChI=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
InChIKeyBGKHCLZFGPIKKU-LDDQNKHRSA-N
ChEBI Ontology
Outgoing Relation(s)
prostaglandin A1 (CHEBI:15545) is a prostaglandins A (CHEBI:26334)
prostaglandin A1 (CHEBI:15545) is conjugate acid of prostaglandin A1(1−) (CHEBI:57398)
Incoming Relation(s)
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  Source
(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoateKEGG COMPOUND
Prostaglandin A1KEGG COMPOUND
PGA1KEGG COMPOUND
PGA1ChEBI
Manual XrefsDatabases
C04685KEGG COMPOUND
C04685KEGG COMPOUND
LMFA03010005LIPID MAPS
8PGPDBeChem
Registry NumbersSources
CAS:14152-28-4KEGG COMPOUND
CAS:14152-28-4ChemIDplus