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    The database and ontology of Chemical Entities of Biological Interest

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prostaglandin A1(1−) (CHEBI:57398)

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ChEBI Name prostaglandin A1(1−)
ChEBI ID CHEBI:57398
ChEBI ASCII Name prostaglandin A1(1-)
Definition Conjugate base of prostaglandin A1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C20H31O4 ChEBI
Net Charge -1
Average Mass 335.45770
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)/p-1/b14-12+/t16-,17-,18+/m0/s1
InChIKey
BGKHCLZFGPIKKU-LDDQNKHRSA-M
SMILES
CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O
Metabolite of Species Source
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 anion ChEBI
Database Link Database
DB06733 DrugBank
View more database links
Last Modified
10 March 2014

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