EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75558 - 2-oleoyl-3-stearoyl-sn-glycerol

ChEBI IDCHEBI:75558
ChEBI Name2-oleoyl-3-stearoyl-sn-glycerol
Stars
ASCII Name2-oleoyl-3-stearoyl-sn-glycerol
DefinitionA 2,3-diacyl-sn-glycerol that has oleoyl and stearoyl as the 2- and 3-acyl groups respectively.
Last Modified1 December 2014
Submitterlaimo
DownloadsMolfile
FormulaC39H74O5
Net Charge0
Average Mass623.016
Monoisotopic Mass622.55363
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40H,3-17,19,21-36H2,1-2H3/b20-18-/t37-/m1/s1
InChIKeySAEPUUXWQQNLGN-XZRWTQCASA-N
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:75558) is a 1-stearoyl-2-oleoylglycerol (CHEBI:75590)
2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:75558) is a 2,3-diacyl-sn-glycerol (CHEBI:75524)
2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:75558) is enantiomer of 1-octadecanoyl-2-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:75468)
Incoming Relation(s)
rac-1-stearoyl-2-oleoylglycerol (CHEBI:75560) has part 2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:75558)
1-octadecanoyl-2-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:75468) is enantiomer of 2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:75558)
IUPAC Name 
(2R)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
Synonyms  Source
2-(9Z)-octadecenoyl-3-octadecanoyl-sn-glycerolSUBMITTER
sn-2-oleoyl-3-stearoyl diglycerideSUBMITTER
DG (0:0/18:1(n-9)/18:0)SUBMITTER
UniProt Name  Source
2-(9Z-octadecenoyl)-3-octadecanoyl-sn-glycerolUniProt
Registry NumbersSources
Reaxys:2028934Reaxys