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CHEBI:57398 - prostaglandin A1(1−)

ChEBI IDCHEBI:57398
ChEBI Nameprostaglandin A1(1−)
Stars
ASCII Nameprostaglandin A1(1-)
DefinitionConjugate base of prostaglandin A1.
Last Modified5 October 2016
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
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)/p-1/b14-12+/t16-,17-,18+/m0/s1
InChIKeyBGKHCLZFGPIKKU-LDDQNKHRSA-M
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 A1(1−) (CHEBI:57398) has role human metabolite (CHEBI:77746)
prostaglandin A1(1−) (CHEBI:57398) is a prostaglandin carboxylic acid anion (CHEBI:59326)
prostaglandin A1(1−) (CHEBI:57398) is conjugate base of prostaglandin A1 (CHEBI:15545)
Incoming Relation(s)
15-dehydroprostaglandin A1(1−) (CHEBI:85072) has functional parent prostaglandin A1(1−) (CHEBI:57398)
20-hydroxyprostaglandin A1(1−) (CHEBI:136663) has functional parent prostaglandin A1(1−) (CHEBI:57398)
prostaglandin A1 (CHEBI:15545) is conjugate acid of prostaglandin A1(1−) (CHEBI:57398)
IUPAC Name 
(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oate
Synonym  Source
prostaglandin A1 anionChEBI
UniProt Name  Source
prostaglandin A1UniProt
Manual XrefsDatabases
DB06733DrugBank