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CHEBI:150891 - (2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:150891
ChEBI Name(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-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](COS(=O)(=O)O)[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]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a3-b1
InChIInChI=1S/C14H23NO18S2/c1-3(16)15-5-10(31-14-8(19)6(17)7(18)11(32-14)12(20)21)9(33-35(26,27)28)4(30-13(5)22)2-29-34(23,24)25/h4-11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,7+,8-,9+,10-,11-,13?,14-/m1/s1
InChIKeyYMRGBHXQASMOMH-JGZLWRHFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:150891) is a amino sugar (CHEBI:28963)
Synonyms  Source
alpha-L-ido-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galacto-hexopyranoseSUBMITTER
IdoA(a1-3)GalNAc4S6SSUBMITTER
Manual XrefsDatabases
G44101QSGlyTouCan
G44101QSGlyGen