EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:42945 - METHYL 3-O-METHYL-2,6-DI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSIDE

Default Structure
ChEBI IDCHEBI:42945
ChEBI NameMETHYL 3-O-METHYL-2,6-DI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC8H14O12S2
Net Charge-2
Average Mass366.322
Monoisotopic Mass365.99377
SMILES[H]O[C@]1([H])[C@]([H])(OC([H])([H])[H])[C@@]([H])(OS(=O)(=O)[O-])[C@@]([H])(OC([H])([H])[H])O[C@]1([H])C([H])([H])OS(=O)(=O)[O-]
InChIInChI=1S/C8H16O12S2/c1-16-6-5(9)4(3-18-21(10,11)12)19-8(17-2)7(6)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/p-2/t4-,5+,6+,7-,8+/m1/s1
InChIKeyGFHCIIGKYHICQU-HNEXDWKRSA-L
ChEBI Ontology
Outgoing Relation(s)
METHYL 3-O-METHYL-2,6-DI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSIDE (CHEBI:42945) is a unclassifieds (CHEBI:27189)
Synonyms  Source
methyl 3-O-methyl-2,6-di-O-sulfonato-alpha-D-galactopyranosidePDBeChem
METHYL 3-O-METHYL-2,6-DI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSIDEPDBeChem
Manual XrefsDatabases
GU3PDBeChem