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CHEBI:34939 - prostaglandin D3

ChEBI IDCHEBI:34939
ChEBI Nameprostaglandin D3
Stars
ASCII Nameprostaglandin D3
DefinitionA member of the class of prostaglandins D that is prosta-5,13,17-trien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,13E,15S,17Z-stereoisomer).
Last Modified21 July 2016
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChIKeyANOICLBSJIMQTA-WXGBOJPQSA-N
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 D3 (CHEBI:34939) has role human metabolite (CHEBI:77746)
prostaglandin D3 (CHEBI:34939) is a prostaglandins D (CHEBI:26337)
prostaglandin D3 (CHEBI:34939) is conjugate acid of prostaglandin D3(1−) (CHEBI:132149)
Incoming Relation(s)
prostaglandin D3(1−) (CHEBI:132149) is conjugate base of prostaglandin D3 (CHEBI:34939)
IUPAC Name 
(5Z,13E,15S,17Z)-9α,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid
Synonyms  Source
(5Z,13E,15S,17Z)-9alpha,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acidHMDB
(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acidHMDB
9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoic acidHMDB
Prostaglandin D3KEGG COMPOUND
Manual XrefsDatabases
C13802KEGG COMPOUND
HMDB0003034HMDB
LMFA03010142LIPID MAPS
Registry NumbersSources
Reaxys:5995201Reaxys
CAS:71902-47-1ChemIDplus
CAS:71902-47-1KEGG COMPOUND
Citations