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CHEBI:28031 - prostaglandin E3

ChEBI IDCHEBI:28031
ChEBI Nameprostaglandin E3
Stars
ASCII Nameprostaglandin E3
Secondary ChEBI IDsCHEBI:8513, CHEBI:26324
Last Modified23 October 2015
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=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/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChIKeyCBOMORHDRONZRN-QLOYDKTKSA-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 E3 (CHEBI:28031) has role human metabolite (CHEBI:77746)
prostaglandin E3 (CHEBI:28031) is a prostaglandins E (CHEBI:26338)
prostaglandin E3 (CHEBI:28031) is conjugate acid of prostaglandin E3(1−) (CHEBI:133132)
Incoming Relation(s)
prostaglandin E3(1−) (CHEBI:133132) is conjugate base of prostaglandin E3 (CHEBI:28031)
IUPAC Name 
(5Z,13E,15S,17Z)-11α,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oic acid
Synonyms  Source
(5Z,11α,13E,15S,17Z)-11,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oic acidChemIDplus
9-oxo-11R,15S-dihydroxy-5Z,13E,17Z-prostatrienoic acidLIPID MAPS
PGE3ChemIDplus
Prostaglandin E3KEGG COMPOUND
Manual XrefsDatabases
C06439KEGG COMPOUND
LMFA03010135LIPID MAPS
Registry NumbersSources
Beilstein:2899956Beilstein
CAS:802-31-3ChemIDplus
CAS:802-31-3KEGG COMPOUND