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CHEBI:187529 - 1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(9,12-octadecadiynoyl)-sn-glycerol

Default Structure
ChEBI IDCHEBI:187529
ChEBI Name1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(9,12-octadecadiynoyl)-sn-glycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H72O8
Net Charge0
Average Mass873.184
Monoisotopic Mass872.52272
SMILESCC/C=C\C=C/CCC[C@H]1O[C@@H]1C#CC#CCCC(=O)OC[C@@H](OC(=O)CCC#CC#C[C@H]1O[C@@H]1CCC/C=C\C=C/CC)OC(=O)CCCCCCCC#CCC#CCCCCC
InChIInChI=1S/C56H72O8/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-29-39-46-54(58)63-56(64-55(59)47-40-33-31-37-44-52-50(62-52)42-35-28-25-15-12-9-6-3)48-60-53(57)45-38-32-30-36-43-51-49(61-51)41-34-27-24-14-11-8-5-2/h8-9,11-12,14-15,24-25,49-52,56H,4-7,10,13,18,21-23,26-29,34-35,38-42,45-48H2,1-3H3/b11-8-,12-9-,24-14-,25-15-/t49-,50-,51-,52-,56-/m1/s1
InChIKeyBVQNUGBQIPCAQY-XOXPLLLWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(9,12-octadecadiynoyl)-sn-glycerol (CHEBI:187529) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(1R)-1,2-bis[7-[(2R,3R)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoyloxy]ethyl] octadeca-9,12-diynoate
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