CHEBI:137247 - cholesteryl 11-hydroperoxy-eicosatetraenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholesteryl 11-hydroperoxy-eicosatetraenoate
ChEBI ID CHEBI:137247
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C47H76O4
Net Charge 0
Average Mass 705.106
Monoisotopic Mass 704.57436
InChI InChI=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
InChIKey JLEGGACLWZYPAC-PBMFZXHMSA-N
SMILES C(\CCCC(=O)O[C@H]1CC[C@]2(C(C1)=CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H])C)=C\C/C=C\CC(/C=C/C=C\CCCCC)OO
ChEBI Ontology
Outgoing 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 Xref Database
LMST01020029 LIPID MAPS
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Last Modified
01 June 2017