CHEBI:87241 - 1-octadecanoyl-2-docosanoyl-sn-glycerol

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ChEBI Name 1-octadecanoyl-2-docosanoyl-sn-glycerol
ChEBI ID CHEBI:87241
ChEBI ASCII Name 1-octadecanoyl-2-docosanoyl-sn-glycerol
Definition A diacylglycerol 40:0 in which the acyl groups at positions 1 and 2 are octadecanoyl and docosanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H84O5
Net Charge 0
Average Mass 681.12410
Monoisotopic Mass 680.63188
InChI InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1
InChIKey IMCGKQALNIGVRI-RWYGWLOXSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via diglyceride )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via diglyceride )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87241) has functional parent docosanoic acid (CHEBI:28941)
1-octadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87241) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87241) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
1-octadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87241) is a diacylglycerol 40:0 (CHEBI:87239)
IUPAC Name
(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl docosanoate
Synonyms Sources
1-Stearoyl-2-behenoyl-sn-glycerol HMDB
DAG(18:0/22:0) HMDB
DG(18:0/22:0/0:0) LIPID MAPS
Diacylglycerol(18:0/22:0) HMDB
Manual Xrefs Databases
HMDB0007173 HMDB
LMGL02010145 LIPID MAPS
View more database links
Last Modified
31 July 2015