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CHEBI:34821 - levuglandin E2

ChEBI IDCHEBI:34821
ChEBI Namelevuglandin E2
Stars
ASCII Namelevuglandin E2
Last Modified23 May 2018
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCC[C@H](O)/C=C/[C@@H](C=O)[C@@H](C/C=C\CCCC(=O)O)C(C)=O
InChIInChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1
InChIKeyWJWAORNTZNRHBP-QNUMDXCLSA-N
ChEBI Ontology
Outgoing Relation(s)
levuglandin E2 (CHEBI:34821) is a levuglandin (CHEBI:36142)
Incoming Relation(s)
L-lysyl levuloglandin E2 adduct (CHEBI:140823) has functional parent levuglandin E2 (CHEBI:34821)
IUPAC Names 
(5Z,8R,9R,10E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid
(5Z,13E,15S)-15-hydroxy-9,11-dioxo-10,11-secoprosta-5,13-dienoate
Synonyms  Source
Levuglandin E2KEGG COMPOUND
LGE2KEGG COMPOUND
10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acidKEGG COMPOUND
10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoateKEGG COMPOUND
Manual XrefsDatabases
C13807KEGG COMPOUND
LMFA03100001LIPID MAPS
HMDB0002363HMDB
Registry NumbersSources
CAS:91712-41-3ChemIDplus