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CHEBI:155284 - (2R,3S,4S,5R,6R)-3,4-Dihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:155284
ChEBI Name(2R,3S,4S,5R,6R)-3,4-Dihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-5-sulfooxyoxane-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]2CO)[C@H](OS(=O)(=O)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][a2121A-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H21NO20S3/c14-1-2-6(7(32-35(23,24)25)3(11(19)29-2)13-34(20,21)22)30-12-9(33-36(26,27)28)5(16)4(15)8(31-12)10(17)18/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
InChIKeyILAOXSRYMGFBHK-UVTRRXGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6R)-3,4-Dihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid (CHEBI:155284) is a glucosiduronic acid (CHEBI:24302)
Synonyms  Source
IdoA2S(a1-4)a-GlcNS3SSUBMITTER
2-O-sulfo-alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-3-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G95020NUGlyTouCan
G95020NUGlyGen