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CHEBI:78035 - 12(S)-HPETE methyl ester

ChEBI IDCHEBI:78035
ChEBI Name12(S)-HPETE methyl ester
Stars
ASCII Name12(S)-HPETE methyl ester
DefinitionA fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12(S)-HPETE with methanol.
Last Modified28 October 2019
Submitterlaimo
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILESCCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)OC)OO
InChIInChI=1S/C21H34O4/c1-3-4-5-6-11-14-17-20(25-23)18-15-12-9-7-8-10-13-16-19-21(22)24-2/h8-12,14-15,18,20,23H,3-7,13,16-17,19H2,1-2H3/b10-8-,12-9-,14-11-,18-15+/t20-/m0/s1
InChIKeyBCEKIAHCCATNGN-NTDAYINTSA-N
ChEBI Ontology
Outgoing Relation(s)
12(S)-HPETE methyl ester (CHEBI:78035) has functional parent 12(S)-HPETE (CHEBI:15626)
12(S)-HPETE methyl ester (CHEBI:78035) has functional parent methyl arachidonate (CHEBI:78033)
12(S)-HPETE methyl ester (CHEBI:78035) is a fatty acid methyl ester (CHEBI:4986)
12(S)-HPETE methyl ester (CHEBI:78035) is a hydroperoxy fatty ester (CHEBI:145037)
12(S)-HPETE methyl ester (CHEBI:78035) is enantiomer of 12(R)-HPETE methyl ester (CHEBI:78034)
Incoming Relation(s)
12(R)-HPETE methyl ester (CHEBI:78034) is enantiomer of 12(S)-HPETE methyl ester (CHEBI:78035)
IUPAC Name 
methyl (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate
Synonym  Source
methyl (5Z,8Z,10E,12S,14Z)-hydroperoxyicosatetraenoateSUBMITTER
UniProt Name  Source
1-O-methyl-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoateUniProt