EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150944 - (2R,3R,4R)-2-[(2R,3S,4R,5R,6S)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:150944
ChEBI Name(2R,3R,4R)-2-[(2R,3S,4R,5R,6S)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H19NO17S2
Net Charge0
Average Mass513.408
Monoisotopic Mass513.00944
SMILESO=C(O)C1=C(O)[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]2CO)O1
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H19NO17S2/c14-1-2-7(4(15)3(11(20)27-2)13-31(21,22)23)28-12-9(30-32(24,25)26)6(17)5(16)8(29-12)10(18)19/h2-4,6-7,9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,6+,7-,9-,11+,12-/m1/s1
InChIKeyOEMNEHZTAKEHFK-YEKVQXJSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-2-[(2R,3S,4R,5R,6S)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:150944) is a disaccharide (CHEBI:36233)
Manual XrefsDatabases
G44797QRGlyTouCan
G44797QRGlyGen