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CHEBI:136346 - 1-octanoyl-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol

ChEBI IDCHEBI:136346
ChEBI Name1-octanoyl-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol
Stars
DefinitionA triacylglycerol 38:0 in which the acyl groups at positions 1, 2 and 3 are specified as octanoyl, tetradecanoyl and hexadecanoyl respectively.
Last Modified18 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC41H78O6
Net Charge0
Average Mass667.069
Monoisotopic Mass666.57984
SMILES[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C41H78O6/c1-4-7-10-13-15-17-19-20-22-23-25-28-31-34-40(43)46-37-38(36-45-39(42)33-30-27-12-9-6-3)47-41(44)35-32-29-26-24-21-18-16-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m1/s1
InChIKeyLONDUFXOLIQUKZ-KXQOOQHDSA-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-octanoyl-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol (CHEBI:136346) has role Papio hamadryas metabolite (CHEBI:137684)
1-octanoyl-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol (CHEBI:136346) is a triacyl-sn-glycerol (CHEBI:64615)
1-octanoyl-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol (CHEBI:136346) is a triacylglycerol 38:0 (CHEBI:136347)
IUPAC Name 
3-(octanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate
Synonyms  Source
triacylglycerol (8:0/14:0/16:0)ChEBI
TG(8:0/14:0/16:0)ChEBI