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CHEBI:154671 - (2R,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4,6-dihydroxy-5-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:154671
ChEBI Name(2R,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4,6-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H21NO17S2
Net Charge0
Average Mass515.424
Monoisotopic Mass515.02509
SMILESO=C(O)[C@@H]1OC(O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
WURCSWURCS=2.0/2,2,1/[a2121A-1x_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H21NO17S2/c14-1-2-4(15)5(16)3(13-31(21,22)23)12(27-2)29-7-6(17)8(30-32(24,25)26)11(20)28-9(7)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
InChIKeyRFPBVNUWLBNQSQ-OGRCKCSZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4,6-dihydroxy-5-sulfooxyoxane-2-carboxylic acid (CHEBI:154671) is a O-acyl carbohydrate (CHEBI:52782)
Synonyms  Source
GlcNS(a1-4)IdoA2SSUBMITTER
2-deoxy-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-2-O-sulfo-L-ido-hexopyranuronic acidSUBMITTER
Manual XrefsDatabases
G89699BWGlyTouCan
G89699BWGlyGen