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CHEBI:138496 - 5S-HETE di-endoperoxide

Default Structure
ChEBI IDCHEBI:138496
ChEBI Name5S-HETE di-endoperoxide
Stars
ASCII Name5S-HETE di-endoperoxide
Last Modified25 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC20H34O8
Net Charge0
Average Mass402.484
Monoisotopic Mass402.22537
SMILESCCCCC[C@H](O)CC[C@@H]1OO[C@@H](/C=C/[C@@H](O)CCCC(=O)O)[C@@H]2C[C@H]1OO2
InChIInChI=1S/C20H34O8/c1-2-3-4-6-14(21)9-11-16-18-13-19(28-27-18)17(26-25-16)12-10-15(22)7-5-8-20(23)24/h10,12,14-19,21-22H,2-9,11,13H2,1H3,(H,23,24)/b12-10+/t14-,15-,16-,17-,18+,19-/m0/s1
InChIKeyDOXGUXRZAOCYPM-IPIAXWAYSA-N
ChEBI Ontology
Outgoing Relation(s)
5S-HETE di-endoperoxide (CHEBI:138496) is a carbonyl compound (CHEBI:36586)
Synonym  Source
5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acidLIPID MAPS
Manual XrefsDatabases
LMFA03000011LIPID MAPS