EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85552 - 15-dehydroprostaglandin A1

ChEBI IDCHEBI:85552
ChEBI Name15-dehydroprostaglandin A1
Stars
ASCII Name15-dehydroprostaglandin A1
DefinitionA member of the class of prostaglandins A obtained by oxidation of the 15-hydroxy group of prostaglandin A1 to the corresponding ketone.
Last Modified23 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCCC(=O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=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/h12-16,18H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,18+/m0/s1
InChIKeyYKXHFAJZOFTAOC-DTXSUPOZSA-N
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
15-dehydroprostaglandin A1 (CHEBI:85552) has functional parent prostaglandin A1 (CHEBI:15545)
15-dehydroprostaglandin A1 (CHEBI:85552) has role Escherichia coli metabolite (CHEBI:76971)
15-dehydroprostaglandin A1 (CHEBI:85552) has role human metabolite (CHEBI:77746)
15-dehydroprostaglandin A1 (CHEBI:85552) is a prostaglandins A (CHEBI:26334)
15-dehydroprostaglandin A1 (CHEBI:85552) is conjugate acid of 15-dehydroprostaglandin A1(1−) (CHEBI:85072)
Incoming Relation(s)
15-dehydroprostaglandin A1(1−) (CHEBI:85072) is conjugate base of 15-dehydroprostaglandin A1 (CHEBI:85552)
IUPAC Name 
(13E)-9,15-dioxoprosta-10,13-dien-1-oic acid
Citations