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CHEBI:150330 - (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid

ChEBI IDCHEBI:150330
ChEBI Name(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H21NO20S3
Net Charge0
Average Mass595.488
Monoisotopic Mass594.98191
SMILESO=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]2COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O_3*OSO/3=O/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C12H21NO20S3/c14-4-5(15)9(10(17)18)32-12(6(4)16)31-7-2(1-29-35(23,24)25)30-11(19)3(13-34(20,21)22)8(7)33-36(26,27)28/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4+,5+,6-,7-,8-,9+,11+,12-/m1/s1
InChIKeyMBNHCYDZEHBTFN-RKQCIPKRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid (CHEBI:150330) is a carbohydrate sulfate (CHEBI:35724)
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid (CHEBI:150330) is a disaccharide derivative (CHEBI:63353)
Synonyms  Source
GlcA(b1-4)a-GlcNS3S6SSUBMITTER
beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-deoxy-3,6-di-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G41158LGGlyTouCan
G41158LGGlyGen