EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133295 - 1-pentyl-2-icosanoyl-3-(3-O-sulfo-β-D-galactosyl)-sn-glycerol

Default Structure
ChEBI IDCHEBI:133295
ChEBI Name1-pentyl-2-icosanoyl-3-(3-O-sulfo-β-D-galactosyl)-sn-glycerol
Stars
ASCII Name1-pentyl-2-icosanoyl-3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol
DefinitionA 1-alkyl-2-acyl-3-(3-O-sulfo-β-D-galactosyl)-sn-glycerol (seminolipid) in which the alkyl and acyl substituents at O-1 and O-2 respectively are pentyl and icosanoyl.
Last Modified15 September 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC34H66O12S
Net Charge0
Average Mass698.957
Monoisotopic Mass698.42750
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O
InChIInChI=1S/C34H66O12S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30(36)44-28(26-42-24-22-6-4-2)27-43-34-32(38)33(46-47(39,40)41)31(37)29(25-35)45-34/h28-29,31-35,37-38H,3-27H2,1-2H3,(H,39,40,41)/t28-,29-,31+,32-,33+,34-/m1/s1
InChIKeyJDKQVEUUFSYQMK-HNYKPDGESA-N
ChEBI Ontology
Outgoing Relation(s)
1-pentyl-2-icosanoyl-3-(3-O-sulfo-β-D-galactosyl)-sn-glycerol (CHEBI:133295) is a 1-alkyl-2-acyl-3-(3-O-sulfo-β-D-galactosyl)-sn-glycerol (CHEBI:79332)
IUPAC Name 
(2R)-1-(pentyloxy)-3-[(3-O-sulfo-β-D-galactopyranosyl)oxy]propan-2-yl icosanoate
Synonyms  Source
1-O-pentyl-2-O-icosanoyl-3-O-(3-O-sulfo-β-D-galactosyl)-sn-glycerolChEBI
2-O-icosanoyl-1-O-pentyl-3-O-(3-O-sulfo-β-D-galactosyl)-sn-glycerolChEBI
2-icosanoyl-1-pentyl-3-(3-O-sulfo-β-D-galactosyl)-sn-glycerolChEBI
Citations