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CHEBI:137247 - cholesteryl 11-hydroperoxy-eicosatetraenoate

ChEBI IDCHEBI:137247
ChEBI Namecholesteryl 11-hydroperoxy-eicosatetraenoate
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Last Modified1 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC47H76O4
Net Charge0
Average Mass705.121
Monoisotopic Mass704.57436
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)OO)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@]([H])(C)CCCC(C)C
InChIInChI=1S/C47H76O4/c1-7-8-9-10-12-15-18-24-39(51-49)25-19-16-13-11-14-17-20-26-45(48)50-40-31-33-46(5)38(35-40)27-28-41-43-30-29-42(37(4)23-21-22-36(2)3)47(43,6)34-32-44(41)46/h11-12,14-16,18-19,24,27,36-37,39-44,49H,7-10,13,17,20-23,25-26,28-35H2,1-6H3/b14-11-,15-12-,19-16-,24-18+/t37-,39?,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKeyJLEGGACLWZYPAC-PBMFZXHMSA-N
ChEBI Ontology
Outgoing Relation(s)
cholesteryl 11-hydroperoxy-eicosatetraenoate (CHEBI:137247) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
(3β)-cholest-5-en-3-yl (5Z,8Z,12E,14Z)-11-hydroperoxyicosa-5,8,12,14-tetraenoate
Synonym  Source
cholest-5-en-3β-yl (15S-hydroperoxy-5Z,8Z,12E,14Z-eicosatetraenoate)LIPID MAPS
Manual XrefsDatabases
LMST01020029LIPID MAPS