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CHEBI:184865 - 1,2-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol

ChEBI IDCHEBI:184865
ChEBI Name1,2-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46O7
Net Charge0
Average Mass614.779
Monoisotopic Mass614.32435
SMILESCC/C=C\C=C/CCC[C@H]1O[C@@H]1C#CC#CCCC(=O)OC(CO)OC(=O)CCC#CC#C[C@H]1O[C@@H]1CCC/C=C\C=C/CC
InChIInChI=1S/C38H46O7/c1-3-5-7-9-11-13-19-25-32-34(42-32)27-21-15-17-23-29-36(40)44-38(31-39)45-37(41)30-24-18-16-22-28-35-33(43-35)26-20-14-12-10-8-6-4-2/h5-12,32-35,38-39H,3-4,13-14,19-20,23-26,29-31H2,1-2H3/b7-5-,8-6-,11-9-,12-10-/t32-,33-,34-,35-/m1/s1
InChIKeyRPASRKKBGSSVMK-SUERBGQKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1,2-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol (CHEBI:184865) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[2-hydroxy-1-[7-[(2R,3R)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoyloxy]ethyl] 7-[(2R,3R)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoate
Manual XrefsDatabases
113374788ChemSpider
LMGL03016886LIPID MAPS