EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:27696 - prostaglandin D1

ChEBI IDCHEBI:27696
ChEBI Nameprostaglandin D1
Stars
ASCII Nameprostaglandin D1
Secondary ChEBI IDsCHEBI:8510, CHEBI:26320
Last Modified23 October 2015
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H34O5/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/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
InChIKeyCIMMACURCPXICP-PNQRDDRVSA-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 D1 (CHEBI:27696) has role human metabolite (CHEBI:77746)
prostaglandin D1 (CHEBI:27696) is a prostaglandins D (CHEBI:26337)
prostaglandin D1 (CHEBI:27696) is conjugate acid of prostaglandin D1(1−) (CHEBI:79010)
Incoming Relation(s)
prostaglandin D1(1−) (CHEBI:79010) is conjugate base of prostaglandin D1 (CHEBI:27696)
IUPAC Name 
(13E,15S)-9α,15-dihydroxy-11-oxoprost-13-en-1-oic acid
Synonyms  Source
Prostaglandin D1KEGG COMPOUND
PGD1ChemIDplus
5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acidChemIDplus
Manual XrefsDatabases
C06438KEGG COMPOUND
LMFA03010049LIPID MAPS
Registry NumbersSources
CAS:17968-82-0KEGG COMPOUND
CAS:17968-82-0ChemIDplus