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CHEBI:142497 - 1-behenoylglycerol

ChEBI IDCHEBI:142497
ChEBI Name1-behenoylglycerol
Stars
DefinitionA fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of docosanoic acid.
Last Modified8 November 2018
Submitterlaimo
DownloadsMolfile
FormulaC25H50O4
Net Charge0
Average Mass414.671
Monoisotopic Mass414.37091
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChIInChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3
InChIKeyOKMWKBLSFKFYGZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sapium baccatum (ncbitaxon:1679265) bark (BTO:0001301) PubMed (24697194) Isolated from stem bark
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
1-behenoylglycerol (CHEBI:142497) has functional parent docosanoic acid (CHEBI:28941)
1-behenoylglycerol (CHEBI:142497) has functional parent glycerol (CHEBI:17754)
1-behenoylglycerol (CHEBI:142497) has role antineoplastic agent (CHEBI:35610)
1-behenoylglycerol (CHEBI:142497) has role plant metabolite (CHEBI:76924)
1-behenoylglycerol (CHEBI:142497) is a 1-monoglyceride (CHEBI:35759)
1-behenoylglycerol (CHEBI:142497) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2,3-dihydroxypropyl docosanoate
Synonyms  Source
1-acylglycerol 22:0SUBMITTER
1-O-docosanoylglycerolChEBI
docosanoic acid 2',3'-dihydroxypropyl esterChEBI
glycerol behenateChEBI
glycerol-behenic acid monoesterChEBI
UniProt Name  Source
1-docosanoylglycerolUniProt
Registry NumbersSources
Reaxys:1886911Reaxys
CAS:30233-64-8ChemIDplus
Citations