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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol
ChEBI ID CHEBI:108532
ChEBI ASCII Name 1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol
Definition A triacylglycerol 46:0 in which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, octadecanoyl and dodecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H94O6
Net Charge 0
Average Mass 779.269
Monoisotopic Mass 778.70504
InChI InChI=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
InChIKey VAYNONGSXQBKMT-DXQCBLCSSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(CCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Sources
1-palmitoyl-2-stearoyl-3-lauroyl-sn-glycerol ChEBI
TG(16:0/18:0/12:0) ChEBI
Last Modified
07 April 2016