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CHEBI:78084 - hepoxilin B3(1−)

ChEBI IDCHEBI:78084
ChEBI Namehepoxilin B3(1−)
Stars
ASCII Namehepoxilin B3(1-)
DefinitionA hepoxilin anion that is the conjugate base of hepoxilin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Secondary ChEBI IDCHEBI:132132
Last Modified6 April 2018
Submitterlaimo, nhn
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
SMILESCCCCC/C=C\C[C@@H]1O[C@H]1C(O)/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/p-1/b7-6-,12-9-,14-11-/t17?,18-,20-/m0/s1
InChIKeyDWNBPRRXEVJMPO-RNGYDEEPSA-M
ChEBI Ontology
Outgoing Relation(s)
hepoxilin B3(1−) (CHEBI:78084) is a hepoxilin anion (CHEBI:62938)
hepoxilin B3(1−) (CHEBI:78084) is conjugate base of hepoxilin B3 (CHEBI:34784)
Incoming Relation(s)
hepoxilin B3 (CHEBI:34784) is conjugate acid of hepoxilin B3(1−) (CHEBI:78084)
IUPAC Name 
(5Z,8Z)-10-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoate
Synonyms  Source
(11S,12S)-epoxy-10-hydroxy-(5Z,8Z,14Z)-icosatrienoateSUBMITTER
10-hydroxy-(11S,12S)-hepoxilin B3(1−)SUBMITTER
UniProt Name  Source
10-hydroxy-(11S,12S)-epoxy- (5Z,8Z,14Z)-eicosatrienoateUniProt
Citations