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

Default Structure
ChEBI IDCHEBI:87241
ChEBI Name1-octadecanoyl-2-docosanoyl-sn-glycerol
Stars
ASCII Name1-octadecanoyl-2-docosanoyl-sn-glycerol
DefinitionA diacylglycerol 40:0 in which the acyl groups at positions 1 and 2 are octadecanoyl and docosanoyl respectively.
Last Modified31 July 2015
Submitternamrata
DownloadsMolfile
FormulaC43H84O5
Net Charge0
Average Mass681.140
Monoisotopic Mass680.63188
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyIMCGKQALNIGVRI-RWYGWLOXSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-Stearoyl-2-behenoyl-sn-glycerolHMDB
DAG(18:0/22:0)HMDB
DG(18:0/22:0/0:0)LIPID MAPS
Diacylglycerol(18:0/22:0)HMDB
Manual XrefsDatabases
HMDB0007173HMDB
LMGL02010145LIPID MAPS