EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178003 - [sn-3-GroP]6OH

ChEBI IDCHEBI:178003
ChEBI Name[sn-3-GroP]6OH
Stars
ASCII Name[sn-3-GroP]6OH
DefinitionA synthetic stereospecifically numbered glycerol phosphate (GroP) oligomer. The structure of an sn-3-GroP hexamer, it can be conjugated to a protein through a 6-aminohexyl linker.
Last Modified24 August 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H44O31P6
Net Charge0
Average Mass942.363
Monoisotopic Mass942.02922
SMILESO=P(O)(O)OC[C@H](O)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO
InChIInChI=1S/C18H44O31P6/c19-1-13(20)2-40-51(29,30)42-5-15(22)6-44-53(33,34)46-9-17(24)10-48-55(37,38)49-12-18(25)11-47-54(35,36)45-8-16(23)7-43-52(31,32)41-4-14(21)3-39-50(26,27)28/h13-25H,1-12H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,26,27,28)/t13-,14+,15-,16+,17-,18+/m1/s1
InChIKeyKPXQWHQENDYCNX-HTPGKPQGSA-N
ChEBI Ontology
Outgoing Relation(s)
[sn-3-GroP]6OH (CHEBI:178003) is a glycerol phosphate oligomer (CHEBI:178001)
IUPAC Name 
(2S,8S,14S,20R,26R,32R)-2,5,8,11,14,17,20,23,26,29,32,33-dodecahydroxy-5,11,17,23,29-pentaoxo-4,6,10,12,16,18,22,24,28,30-decaoxa-5λ5,11λ5,17lλ5,23λ5,29λ5-pentaphosphatritriacontan-1-yl dihydrogen phosphate
Citations