EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77686 - 1,2-dioleoyl-3-stearoyl-sn-glycerol

Default Structure
ChEBI IDCHEBI:77686
ChEBI Name1,2-dioleoyl-3-stearoyl-sn-glycerol
Stars
ASCII Name1,2-dioleoyl-3-stearoyl-sn-glycerol
DefinitionA triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as stearoyl.
Last Modified9 May 2014
Submitterlaimo
DownloadsMolfile
FormulaC57H106O6
Net Charge0
Average Mass887.469
Monoisotopic Mass886.79894
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25-,30-27-/t54-/m1/s1
InChIKeyRYNHWWNZNIGDAQ-WNMJAFDRSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dioleoyl-3-stearoyl-sn-glycerol (CHEBI:77686) has functional parent octadecanoic acid (CHEBI:28842)
1,2-dioleoyl-3-stearoyl-sn-glycerol (CHEBI:77686) has functional parent oleic acid (CHEBI:16196)
1,2-dioleoyl-3-stearoyl-sn-glycerol (CHEBI:77686) is a triacyl-sn-glycerol (CHEBI:64615)
IUPAC Name 
3-(octadecanoyloxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate
Synonym  Source
3-(stearoyloxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoateIUBMB
UniProt Name  Source
1,2-di-(9Z)-octadecenoyl-3-octadecanoyl-sn-glycerolUniProt
Registry NumbersSources
Reaxys:2202674Reaxys