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CHEBI:89751 - 1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol

Default Structure
ChEBI IDCHEBI:89751
ChEBI Name1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol
Stars
ASCII Name1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol
DefinitionA triacyl-sn-glycerol in which the which the acyl groups at positions 1 and 2 are specified as hexadecanoyl, while that at position 3 is specified as octadecanoyl
Last Modified13 April 2016
DownloadsMolfile
FormulaC53H102O6
Net Charge0
Average Mass835.393
Monoisotopic Mass834.76764
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1
InChIKeyDQKMNCLZNGAXNX-VCZQVZGSSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23475189)
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (20671299)
- PubMed (24114462)
- MetaboLights (MTBLS92)
Roles Classification
Biological Roles:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol (CHEBI:89751) has role Caenorhabditis elegans metabolite (CHEBI:78804)
1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol (CHEBI:89751) has role human blood serum metabolite (CHEBI:85234)
1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol (CHEBI:89751) is a triacyl-sn-glycerol (CHEBI:64615)
1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol (CHEBI:89751) is a triacylglycerol 50:0 (CHEBI:85874)
IUPAC Name 
(2R)-2,3-bis(hexadecanoyloxy)propyl octadecanoate
Synonyms  Source
1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerolLIPID MAPS
1,2-dipalmitoyl-3-stearoyl-sn-glycerolChEBI
TAG(16:0/16:0/18:0)HMDB
TAG(50:0)HMDB
TG(16:0/16:0/18:0)HMDB
TG(50:0)HMDB
Manual XrefsDatabases
HMDB0005357HMDB
LMGL03010004LIPID MAPS
Registry NumbersSources
Reaxys:20005772Reaxys
Citations