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CHEBI:136392 - 1-dodecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol

ChEBI IDCHEBI:136392
ChEBI Name1-dodecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol
Stars
ASCII Name1-dodecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol
DefinitionA triacylglycerol 50:7 in which the acyl groups at positions 1, 2 and 3 are specified as dodecanoyl, (9Z,12Z)-octadecadienoyl and (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl respectively.
Last Modified19 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC53H88O6
Net Charge0
Average Mass821.281
Monoisotopic Mass820.65809
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C53H88O6/c1-4-7-10-13-16-19-21-23-25-26-28-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-30-27-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-25,27-29,34,37,50H,4-6,8-9,11-15,18,21-22,26,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,20-17-,25-23-,27-24-,29-28-,37-34-/t50-/m1/s1
InChIKeyWGOIKYSVBBVLLY-MUQNOEDGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (27635669)
- MetaboLights (MTBLS364)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
1-dodecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol (CHEBI:136392) has role human xenobiotic metabolite (CHEBI:76967)
1-dodecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol (CHEBI:136392) is a triacylglycerol 50:7 (CHEBI:136393)
IUPAC Name 
(2S)-3-(dodecanoyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Synonyms  Source
TG(12:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))LIPID MAPS
1-dodecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerolLIPID MAPS
triacylglycerol 12:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)ChEBI
1-lauroyl-2-linoleoyl-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerolChEBI
1-dodecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerolChEBI
1-lauroyl-2-linoleoyl-3-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerolChEBI
Manual XrefsDatabases
LMGL03013492LIPID MAPS