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CHEBI:136394 - 1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol

ChEBI IDCHEBI:136394
ChEBI Name1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol
Stars
ASCII Name1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol
DefinitionA triacylglycerol 52:7 in which the acyl groups at positions 1, 2 and 3 are specified as tetradecanoyl, (9Z,12Z)-octadecadienoyl and (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl respectively.
Last Modified19 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC55H92O6
Net Charge0
Average Mass849.335
Monoisotopic Mass848.68939
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,36,39,52H,4-6,8-9,11-15,18,21-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-/t52-/m1/s1
InChIKeyHBSSGNRKOFMPFF-POTIHECYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS364)
- PubMed (27635669)
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-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol (CHEBI:136394) has role human xenobiotic metabolite (CHEBI:76967)
1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol (CHEBI:136394) is a triacylglycerol 52:7 (CHEBI:136390)
IUPAC Name 
(2R)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Synonyms  Source
TG(14:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))LIPID MAPS
1-tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerolLIPID MAPS
1-myrsitoyl-2-linoleoyl-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerolChEBI
triacylglycerol 14:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)ChEBI
1-myrsitoyl-2-linoleoyl-3-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerolChEBI
1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerolChEBI
Manual XrefsDatabases
LMGL03014392LIPID MAPS