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CHEBI:150900 - (2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-Dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:150900
ChEBI Name(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-Dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-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](O)[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@H](O)O[C@@H]2COS(=O)(=O)O)O1
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a21EEA-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C12H19NO17S2/c14-4-3(13-31(21,22)23)11(20)28-2(1-27-32(24,25)26)8(4)29-12-7(17)5(15)6(16)9(30-12)10(18)19/h2-5,7-8,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5+,7-,8-,11-,12+/m1/s1
InChIKeyGIKSHIUQXWDSBN-JZWDSVHASA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-Dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:150900) is a carbohydrate sulfate (CHEBI:35724)
(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-Dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:150900) is a disaccharide derivative (CHEBI:63353)
Manual XrefsDatabases
G44212TZGlyTouCan
G44212TZGlyGen