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CHEBI:34074 - 1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol

ChEBI IDCHEBI:34074
ChEBI Name1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol
Stars
ASCII Name1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol
DefinitionA triacylglycerol 46:0 in which the acyl groups at positions 1, 2 and 3 are specified as dodecanoyl, hexadecanoyl and octadecanoyl respectively.
Last Modified9 November 2017
DownloadsMolfile
FormulaC49H94O6
Net Charge0
Average Mass779.285
Monoisotopic Mass778.70504
SMILES[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
InChIKeyHBNALZRPCNRSPZ-YACUFSJGSA-N
Species of MetaboliteComponentSourceComments
Papio hamadryas (ncbitaxon:9557) - MetaboLights (MTBLS426)
Roles Classification
Biological Role:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
ChEBI Ontology
Outgoing Relation(s)
1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol (CHEBI:34074) has role Papio hamadryas metabolite (CHEBI:137684)
1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol (CHEBI:34074) is a triacyl-sn-glycerol (CHEBI:64615)
1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol (CHEBI:34074) is a triacylglycerol 46:0 (CHEBI:85868)
IUPAC Name 
(2R)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octadecanoate
Synonyms  Source
1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerolKEGG COMPOUND
1-lauroyl-2-palmitoyl-3-stearoyl-sn-glycerolChEBI
triacylglycerol (12:0/16:0/18:0)ChEBI
TG(12:0/16:0/18:0)ChEBI
Manual XrefsDatabases
LMGL03010007LIPID MAPS