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

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ChEBI Name 1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol
ChEBI ID CHEBI:109896
ChEBI ASCII Name 1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol
Definition A 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
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C55H106O6
Net Charge 0
Average Mass 863.429
Monoisotopic Mass 862.79894
InChI InChI=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
InChIKey SDNYRTVJOFMYIW-OIVUAWODSA-N
SMILES O([C@H](COC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-palmitoyl-2,3-distearoyl-sn-glycerol ChEBI
TG(16:0/18:0/18:0) ChEBI
TG(16:0/18:0/18:0)[iso3] LIPID MAPS
Manual Xref Database
LMGL03010069 LIPID MAPS
View more database links
Last Modified
07 April 2016