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CHEBI:151645 - (2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:151645
ChEBI Name(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H57N3O40S4
Net Charge0
Average Mass1300.101
Monoisotopic Mass1299.14012
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](NC(C)=O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@@H](OS(=O)(=O)O)[C@@H](CO)OC(O)[C@@H]5NC(C)=O)O[C@@H]4C(=O)O)O[C@H](CO)[C@@H]3OS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O_6*OSO/3=O/3=O]/1-2-3-2-4/a3-b1_b4-c1_c3-d1_d4-e1
InChIInChI=1S/C36H57N3O40S4/c1-7(42)37-13-16(45)21(77-81(58,59)60)12(6-67-80(55,56)57)70-33(13)73-26-17(46)20(49)36(76-28(26)30(50)51)72-25-15(39-9(3)44)34(69-11(5-41)23(25)79-83(64,65)66)74-27-18(47)19(48)35(75-29(27)31(52)53)71-24-14(38-8(2)43)32(54)68-10(4-40)22(24)78-82(61,62)63/h10-29,32-36,40-41,45-49,54H,4-6H2,1-3H3,(H,37,42)(H,38,43)(H,39,44)(H,50,51)(H,52,53)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26+,27+,28+,29+,32?,33+,34+,35-,36-/m1/s1
InChIKeyZOXJOMNSSHCFLJ-FOGUSIPCSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CHEBI:151645) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
GalNAc4S6S(b1-4)GlcA(b1-3)GalNAc4S(b1-4)GlcA(b1-3)GalNAc4SSUBMITTER
2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G52520MSGlyTouCan
G52520MSGlyGen