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

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ChEBI Name 1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol
ChEBI ID CHEBI:89751
ChEBI ASCII Name 1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol
Definition A 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
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000085552475
Download Molfile XML SDF
Formula C53H102O6
Net Charge 0
Average Mass 835.375
Monoisotopic Mass 834.76764
InChI InChI=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
InChIKey DQKMNCLZNGAXNX-VCZQVZGSSA-N
SMILES O([C@H](COC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol LIPID MAPS
1,2-dipalmitoyl-3-stearoyl-sn-glycerol ChEBI
TAG(16:0/16:0/18:0) HMDB
TAG(50:0) HMDB
TG(16:0/16:0/18:0) HMDB
TG(50:0) HMDB
Tracylglycerol(16:0/16:0/18:0) HMDB
Tracylglycerol(50:0) HMDB
Manual Xrefs Databases
HMDB0005357 HMDB
LMGL03010004 LIPID MAPS
View more database links
Registry Number Type Source
20005772 Reaxys Registry Number Reaxys
Citation
Quehenberger O, Armando AM, Brown AH, Milne SB, Myers DS, Merrill AH, Bandyopadhyay S, Jones KN, Kelly S, Shaner RL, Sullards CM, Wang E, Murphy RC, Barkley RM, Leiker TJ, Raetz CR, Guan Z, Laird GM, Six DA, Russell DW, McDonald JG, Subramaniam S, Fahy E, Dennis EA (2010)
Lipidomics reveals a remarkable diversity of lipids in human plasma.
Journal of lipid research 51, 3299-3305 [PubMed:20671299]
[show Abstract]
Last Modified
13 April 2016