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CHEBI:57406 - prostaglandin D2(1−)

ChEBI IDCHEBI:57406
ChEBI Nameprostaglandin D2(1−)
Stars
ASCII Nameprostaglandin D2(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D2., obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 July 2015
DownloadsMolfile
FormulaC20H31O5
Net Charge-1
Average Mass351.463
Monoisotopic Mass351.21770
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChIKeyBHMBVRSPMRCCGG-OUTUXVNYSA-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 D2(1−) (CHEBI:57406) has role human metabolite (CHEBI:77746)
prostaglandin D2(1−) (CHEBI:57406) is a prostaglandin carboxylic acid anion (CHEBI:59326)
prostaglandin D2(1−) (CHEBI:57406) is conjugate base of prostaglandin D2 (CHEBI:15555)
Incoming Relation(s)
13,14-dihydro-15-ketoprostaglandin D2(1-) (CHEBI:747139) has functional parent prostaglandin D2(1−) (CHEBI:57406)
prostaglandin D2 (CHEBI:15555) is conjugate acid of prostaglandin D2(1−) (CHEBI:57406)
IUPAC Name 
(5Z,13E,15S)-9α,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate
Synonym  Source
prostaglandin D2 anionChEBI
UniProt Name  Source
prostaglandin D2UniProt