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

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ChEBI Name 1-hexadecanoyl-2-docosanoyl-sn-glycerol
ChEBI ID CHEBI:87234
ChEBI ASCII Name 1-hexadecanoyl-2-docosanoyl-sn-glycerol
Definition A diacylglycerol 38:0 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and docosanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H80O5
Net Charge 0
Average Mass 653.07090
Monoisotopic Mass 652.60058
InChI InChI=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
InChIKey JAJNYVORAKCQCM-KDXMTYKHSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC
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-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 Sources
1-Palmitoyl-2-behenoyl-sn-glycerol HMDB
DG(16:0/22:0) HMDB
DG(16:0/22:0/0:0) LIPID MAPS
Diacylglycerol(16:0/22:0) HMDB
Manual Xrefs Databases
HMDB0007115 HMDB
LMGL02010096 LIPID MAPS
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Last Modified
23 October 2015