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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol
ChEBI ID CHEBI:136394
ChEBI ASCII Name 1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C55H92O6
Net Charge 0
Average Mass 849.317
Monoisotopic Mass 848.68939
InChI InChI=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
InChIKey HBSSGNRKOFMPFF-POTIHECYSA-N
SMILES C(\CC)=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-myrsitoyl-2-linoleoyl-3-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerol ChEBI
1-myrsitoyl-2-linoleoyl-3-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycerol ChEBI
1-tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol LIPID MAPS
1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-3-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerol ChEBI
TG(14:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) LIPID MAPS
triacylglycerol 14:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z) ChEBI
Manual Xref Database
LMGL03014392 LIPID MAPS
View more database links
Last Modified
19 January 2018