CHEBI:28031 - prostaglandin E3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name prostaglandin E3
ChEBI ID CHEBI:28031
ChEBI ASCII Name prostaglandin E3
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8513, CHEBI:26324
Supplier Information
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.44920
Monoisotopic Mass 350.20932
InChI InChI=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
InChIKey CBOMORHDRONZRN-QLOYDKTKSA-N
SMILES CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(5Z,11α,13E,15S,17Z)-11,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oic acid ChemIDplus
9-oxo-11R,15S-dihydroxy-5Z,13E,17Z-prostatrienoic acid LIPID MAPS
PGE3 ChemIDplus
Prostaglandin E3 KEGG COMPOUND
Manual Xrefs Databases
C06439 KEGG COMPOUND
LMFA03010135 LIPID MAPS
View more database links
Registry Numbers Types Sources
2899956 Beilstein Registry Number Beilstein
802-31-3 CAS Registry Number KEGG COMPOUND
802-31-3 CAS Registry Number ChemIDplus
Last Modified
23 October 2015