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CHEBI:186314 - 1,2,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol

Default Structure
ChEBI IDCHEBI:186314
ChEBI Name1,2,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H66O9
Net Charge0
Average Mass883.135
Monoisotopic Mass882.47068
SMILESCC/C=C\C=C/CCC[C@H]1O[C@@H]1C#CC#CCCC(=O)OCC(OC(=O)CCC#CC#C[C@H]1O[C@@H]1CCC/C=C\C=C/CC)OC(=O)CCC#CC#C[C@H]1O[C@@H]1CCC/C=C\C=C/CC
InChIInChI=1S/C56H66O9/c1-4-7-10-13-16-19-28-37-47-50(61-47)40-31-22-25-34-43-53(57)60-46-56(64-54(58)44-35-26-23-32-41-51-48(62-51)38-29-20-17-14-11-8-5-2)65-55(59)45-36-27-24-33-42-52-49(63-52)39-30-21-18-15-12-9-6-3/h7-18,47-52,56H,4-6,19-21,28-30,34-39,43-46H2,1-3H3/b10-7-,11-8-,12-9-,16-13-,17-14-,18-15-/t47-,48-,49-,50-,51-,52-/m1/s1
InChIKeyKJSHRCSZEYAXHH-CGIRRWDMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1,2,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol (CHEBI:186314) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2,2-bis[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
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