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CHEBI:90453 - 1,2-dioctanoyl-3-β-D-galactosyl-sn-glycerol

ChEBI IDCHEBI:90453
ChEBI Name1,2-dioctanoyl-3-β-D-galactosyl-sn-glycerol
Stars
ASCII Name1,2-dioctanoyl-3-beta-D-galactosyl-sn-glycerol
DefinitionA 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as octanoyl.
Last Modified25 November 2015
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC25H46O10
Net Charge0
Average Mass506.633
Monoisotopic Mass506.30910
SMILESCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC
InChIInChI=1S/C25H46O10/c1-3-5-7-9-11-13-20(27)32-16-18(34-21(28)14-12-10-8-6-4-2)17-33-25-24(31)23(30)22(29)19(15-26)35-25/h18-19,22-26,29-31H,3-17H2,1-2H3/t18-,19-,22+,23+,24-,25-/m1/s1
InChIKeyUWAHGIGEXYIXRH-IPMCVVNUSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-dioctanoyl-3-β-D-galactosyl-sn-glycerol (CHEBI:90453) has functional parent octanoic acid (CHEBI:28837)
1,2-dioctanoyl-3-β-D-galactosyl-sn-glycerol (CHEBI:90453) is a 1,2-diacyl-3-β-D-galactosyl-sn-glycerol (CHEBI:17615)
1,2-dioctanoyl-3-β-D-galactosyl-sn-glycerol (CHEBI:90453) is a medium-chain 1,2-diacyl-3-β-D-galactosyl-sn-glycerol (CHEBI:167094)
IUPAC Name 
(2S)-3-(β-D-galactopyranosyloxy)propane-1,2-diyl dioctanoate
Synonym  Source
1,2-di-O-octanoyl-3-O-β-D-galactopyranosyl-sn-glycerolChEBI
UniProt Name  Source
1,2-dioctanoyl-3-O-β-D-galactosyl-sn-glycerolUniProt
Citations