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CHEBI:73952 - 2,3-dinor-prostaglandin E2

ChEBI IDCHEBI:73952
ChEBI Name2,3-dinor-prostaglandin E2
Stars
ASCII Name2,3-dinor-prostaglandin E2
DefinitionA prostanoid that is prostaglandin E2 lacking two methylenes in the carboxyalkyl chain.
Last Modified11 June 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H28O5
Net Charge0
Average Mass324.417
Monoisotopic Mass324.19367
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CC(=O)O
InChIInChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-15,17,19,21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,17+/m0/s1
InChIKeyKEULKCWSUHLQGJ-ZRXREZFBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2,3-dinor-prostaglandin E2 (CHEBI:73952) has role metabolite (CHEBI:25212)
2,3-dinor-prostaglandin E2 (CHEBI:73952) is a cyclic ketone (CHEBI:3992)
2,3-dinor-prostaglandin E2 (CHEBI:73952) is a monocarboxylic acid (CHEBI:25384)
2,3-dinor-prostaglandin E2 (CHEBI:73952) is a prostanoid (CHEBI:26347)
2,3-dinor-prostaglandin E2 (CHEBI:73952) is a secondary alcohol (CHEBI:35681)
IUPAC Names 
(3Z)-5-{(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl}pent-3-enoic acid
(5Z,13E,15S)-11α,15-dihydroxy-2,3-dinor-9-oxoprosta-5,13-dien-1-oic acid
Synonyms  Source
dinor-PGE2LIPID MAPS
2,3-dinor-PGE2ChEBI
Manual XrefsDatabases
LMFA03010210LIPID MAPS