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CHEBI:153439 - (2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:153439
ChEBI Name(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-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](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
WURCSWURCS=2.0/2,2,1/[a2121A-1a_1-5][a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H21NO17S2/c14-4-2(1-27-32(24,25)26)28-12(3(5(4)15)13-31(21,22)23)30-8-6(16)7(17)11(20)29-9(8)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
InChIKeyJMVQVXRMLCEYJF-MNGRWRAWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid (CHEBI:153439) is a O-acyl carbohydrate (CHEBI:52782)
Synonyms  Source
GlcNS6S(a1-4)a-IdoASUBMITTER
2-deoxy-6-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-alpha-L-ido-hexopyranuronic acidSUBMITTER
Manual XrefsDatabases
G72969FMGlyTouCan
G72969FMGlyGen