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CHEBI:109896 - 1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol

ChEBI IDCHEBI:109896
ChEBI Name1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol
Stars
ASCII Name1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol
DefinitionA triacyl-sn-glycerol in which the which the acyl groups at position 1 is specified as hexadecanoyl, while those at positions 2 and 3 are specified as octadecanoyl
Last Modified7 April 2016
DownloadsMolfile
FormulaC55H106O6
Net Charge0
Average Mass863.447
Monoisotopic Mass862.79894
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m1/s1
InChIKeySDNYRTVJOFMYIW-OIVUAWODSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS92)
- PubMed (24114462)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol (CHEBI:109896) has role human blood serum metabolite (CHEBI:85234)
1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol (CHEBI:109896) is a triacyl-sn-glycerol (CHEBI:64615)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)propane-1,2-diyl dioctadecanoate
Synonyms  Source
TG(16:0/18:0/18:0)ChEBI
1-palmitoyl-2,3-distearoyl-sn-glycerolChEBI
TG(16:0/18:0/18:0)[iso3]LIPID MAPS
Manual XrefsDatabases
LMGL03010069LIPID MAPS