EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76979 - 1,2-dioctanoyl-sn-glycerol

Default Structure
ChEBI IDCHEBI:76979
ChEBI Name1,2-dioctanoyl-sn-glycerol
Stars
ASCII Name1,2-dioctanoyl-sn-glycerol
Definition1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5.
Last Modified19 August 2019
Submitterlaimo
DownloadsMolfile
FormulaC19H36O5
Net Charge0
Average Mass344.492
Monoisotopic Mass344.25627
SMILESCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
InChIInChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
InChIKeyZQBULZYTDGUSSK-KRWDZBQOSA-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)
1,2-dioctanoyl-sn-glycerol (CHEBI:76979) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
1,2-dioctanoyl-sn-glycerol (CHEBI:76979) is a dioctanoylglycerol (CHEBI:88066)
1,2-dioctanoyl-sn-glycerol (CHEBI:76979) is enantiomer of 2,3-dioctanoyl-sn-glycerol (CHEBI:76982)
Incoming Relation(s)
2,3-dioctanoyl-sn-glycerol (CHEBI:76982) is enantiomer of 1,2-dioctanoyl-sn-glycerol (CHEBI:76979)
IUPAC Name 
(2S)-3-hydroxypropane-1,2-diyl dioctanoate
Synonyms  Source
1,2-dicapryloyl-sn-glycerolChEBI
1,2-dioctanoylglycerolMetaCyc
1,2-octanoyl-sn-diglycerideSUBMITTER
DG(8:0/8:0/0:0)ChEBI
dicaprylglycerideMetaCyc
sn-1,2-dicaprilinChEBI
UniProt Name  Source
1,2-dioctanoyl-sn-glycerolUniProt
Manual XrefsDatabases
CPD-13470MetaCyc
Registry NumbersSources
Reaxys:1714754Reaxys
CAS:60514-48-9ChemIDplus