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CHEBI:151319 - (2R,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:151319
ChEBI Name(2R,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H36N2O20S
Net Charge0
Average Mass680.591
Monoisotopic Mass680.15821
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](OS(=O)(=O)O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@H]2C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2121A-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_b4-c1
InChIInChI=1S/C22H36N2O20S/c1-5(27)23-9-12(30)11(29)7(3-25)40-21(9)42-17-13(31)14(32)22(43-18(17)19(33)34)41-16-10(24-6(2)28)20(35)39-8(4-26)15(16)44-45(36,37)38/h7-18,20-22,25-26,29-32,35H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,33,34)(H,36,37,38)/t7-,8-,9-,10-,11+,12-,13-,14-,15+,16-,17+,18-,20?,21+,22-/m1/s1
InChIKeyYZNNBTYVAXOJMP-OUSPHFFISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CHEBI:151319) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-alpha-L-ido-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranoseSUBMITTER
GalNAc(b1-4)IdoA(a1-3)GalNAc4SSUBMITTER
Manual XrefsDatabases
G55561NAGlyTouCan
G55561NAGlyGen