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CHEBI:152689 - (2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-Dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:152689
ChEBI Name(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-Dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H19NO20S3
Net Charge0
Average Mass593.472
Monoisotopic Mass592.96626
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]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_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H19NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-4,6-7,9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4-,6+,7-,9-,11-,12+/m1/s1
InChIKeyKLKQTPYOYKOVJE-XEWZJVERSA-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-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:152689) 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-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:152689) is a disaccharide derivative (CHEBI:63353)
Manual XrefsDatabases
G65910BLGlyTouCan
G65910BLGlyGen