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CHEBI:15555 - prostaglandin D2

ChEBI IDCHEBI:15555
ChEBI Nameprostaglandin D2
Stars
ASCII Nameprostaglandin D2
DefinitionA member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9α,13E,15S- stereoisomer).
Secondary ChEBI IDsCHEBI:246, CHEBI:10916, CHEBI:26321, CHEBI:45044
Last Modified21 March 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
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)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChIKeyBHMBVRSPMRCCGG-OUTUXVNYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- MetaboLights (MTBLS143)
- PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
prostaglandin D2 (CHEBI:15555) has role human metabolite (CHEBI:77746)
prostaglandin D2 (CHEBI:15555) has role mouse metabolite (CHEBI:75771)
prostaglandin D2 (CHEBI:15555) is a prostaglandins D (CHEBI:26337)
prostaglandin D2 (CHEBI:15555) is conjugate acid of prostaglandin D2(1−) (CHEBI:57406)
Incoming Relation(s)
13,14-dihydro-15-ketoprostaglandin D2 (CHEBI:72603) has functional parent prostaglandin D2 (CHEBI:15555)
15-dehydro-prostaglandin D2 (CHEBI:15557) has functional parent prostaglandin D2 (CHEBI:15555)
15-deoxy-Δ12,14-prostaglandin D2 (CHEBI:63999) has functional parent prostaglandin D2 (CHEBI:15555)
prostaglandin D2 1-glyceryl ester (CHEBI:85232) has functional parent prostaglandin D2 (CHEBI:15555)
prostaglandin D2 2-glyceryl ester (CHEBI:133979) has functional parent prostaglandin D2 (CHEBI:15555)
prostaglandin D2 ethanolamide (CHEBI:85174) has functional parent prostaglandin D2 (CHEBI:15555)
prostaglandin J2 (CHEBI:27485) has functional parent prostaglandin D2 (CHEBI:15555)
prostaglandin D2(1−) (CHEBI:57406) is conjugate base of prostaglandin D2 (CHEBI:15555)
IUPAC Name 
(5Z,13E,15S)-9α,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid
Synonyms  Source
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoateKEGG COMPOUND
Prostaglandin D2KEGG COMPOUND
PGD2ChEBI
11-Dehydroprostaglandin F2-alphaChemIDplus
PGD2KEGG COMPOUND
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoateKEGG COMPOUND
Manual XrefsDatabases
C00696KEGG COMPOUND
LMFA03010004LIPID MAPS
PG2PDBeChem
DB02056DrugBank
HMDB0001403HMDB
Prostaglandin_D2Wikipedia
Registry NumbersSources
Reaxys:2170623Reaxys
CAS:41598-07-6KEGG COMPOUND
CAS:41598-07-6ChemIDplus
Citations