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CHEBI:154928 - (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:154928
ChEBI Name(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H21NO17S2
Net Charge0
Average Mass515.424
Monoisotopic Mass515.02509
SMILESO=C(O)[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)C(O)O[C@@H]2CO)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H21NO17S2/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/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5+,6+,7-,8-,9-,11?,12-/m1/s1
InChIKeyNOJZNIVAYUWGAY-CEAOCLNISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid (CHEBI:154928) is a glucosiduronic acid (CHEBI:24302)
Synonyms  Source
2-O-sulfo-alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-2-sulfoamino-D-gluco-hexopyranoseSUBMITTER
IdoA2S(a1-4)GlcNSSUBMITTER
Manual XrefsDatabases
G87743WXGlyTouCan
G87743WXGlyGen