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CHEBI:153568 - (2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:153568
ChEBI Name(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H23NO18S2
Net Charge0
Average Mass557.461
Monoisotopic Mass557.03565
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OS(=O)(=O)O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H23NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,7+,8+,9-,10-,11-,13?,14-/m1/s1
InChIKeyKYXFEXHDCVKJRO-DAXMSAKASA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid (CHEBI:153568) is a amino sugar (CHEBI:28963)
Synonyms  Source
IdoA2S(a1-3)GalNAc4SSUBMITTER
2-O-sulfo-alpha-L-ido-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G70907ZHGlyTouCan
G70907ZHGlyGen