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CHEBI:152639 - (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-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:152639
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-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H57N3O37S3
Net Charge0
Average Mass1220.037
Monoisotopic Mass1219.18330
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](CO)[C@H](OS(=O)(=O)O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[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]/1-2-3-2-3/a3-b1_b4-c1_c3-d1_d4-e1
InChIInChI=1S/C36H57N3O37S3/c1-7(43)37-13-16(46)21(74-77(56,57)58)10(4-40)66-33(13)70-26-17(47)20(50)36(73-28(26)30(51)52)69-25-15(39-9(3)45)34(67-12(6-42)23(25)76-79(62,63)64)71-27-18(48)19(49)35(72-29(27)31(53)54)68-24-14(38-8(2)44)32(55)65-11(5-41)22(24)75-78(59,60)61/h10-29,32-36,40-42,46-50,55H,4-6H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,51,52)(H,53,54)(H,56,57,58)(H,59,60,61)(H,62,63,64)/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
InChIKeyYRBBZSJSPYFAPP-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-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CHEBI:152639) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
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-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranoseSUBMITTER
GalNAc4S(b1-4)GlcA(b1-3)GalNAc4S(b1-4)GlcA(b1-3)GalNAc4SSUBMITTER
Manual XrefsDatabases
G65644CCGlyTouCan
G65644CCGlyGen