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CHEBI:87234 - 1-hexadecanoyl-2-docosanoyl-sn-glycerol

ChEBI IDCHEBI:87234
ChEBI Name1-hexadecanoyl-2-docosanoyl-sn-glycerol
Stars
ASCII Name1-hexadecanoyl-2-docosanoyl-sn-glycerol
DefinitionA diacylglycerol 38:0 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and docosanoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC41H80O5
Net Charge0
Average Mass653.086
Monoisotopic Mass652.60058
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1
InChIKeyJAJNYVORAKCQCM-KDXMTYKHSA-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-hexadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87234) has functional parent docosanoic acid (CHEBI:28941)
1-hexadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87234) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87234) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
1-hexadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87234) is a diacylglycerol 38:0 (CHEBI:87232)
IUPAC Name 
(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl docosanoate
Synonyms  Source
1-Palmitoyl-2-behenoyl-sn-glycerolHMDB
DG(16:0/22:0)HMDB
DG(16:0/22:0/0:0)LIPID MAPS
Diacylglycerol(16:0/22:0)HMDB
Manual XrefsDatabases
HMDB0007115HMDB
LMGL02010096LIPID MAPS