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CHEBI:108532 - 1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol

Default Structure
ChEBI IDCHEBI:108532
ChEBI Name1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol
Stars
ASCII Name1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol
DefinitionA triacylglycerol 46:0 in which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, octadecanoyl and dodecanoyl respectively.
Last Modified7 April 2016
DownloadsMolfile
FormulaC49H94O6
Net Charge0
Average Mass779.285
Monoisotopic Mass778.70504
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1
InChIKeyVAYNONGSXQBKMT-DXQCBLCSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (24114462)
- MetaboLights (MTBLS92)
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol (CHEBI:108532) is a triacylglycerol 46:0 (CHEBI:85868)
IUPAC Name 
(2S)-1-(dodecanoyloxy)-3-(hexadecanoyloxy)propan-2-yl octadecanoate
Synonyms  Source
1-palmitoyl-2-stearoyl-3-lauroyl-sn-glycerolChEBI
TG(16:0/18:0/12:0)ChEBI