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CHEBI:150963 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

ChEBI IDCHEBI:150963
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H55N3O27S
Net Charge0
Average Mass957.864
Monoisotopic Mass957.27436
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-4/a3-b1_a6-d1_b3-c2
InChIInChI=1S/C33H55N3O27S/c1-9(39)34-17-12(42)4-33(32(51)52,62-27(17)20(44)13(43)5-37)63-28-22(46)14(6-38)59-31(25(28)49)61-26-19(36-11(3)41)29(50)58-15(23(26)47)7-56-30-18(35-10(2)40)24(48)21(45)16(60-30)8-57-64(53,54)55/h12-31,37-38,42-50H,4-8H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,51,52)(H,53,54,55)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-,29?,30+,31-,33-/m0/s1
InChIKeyARBJDLBESIZTKO-ZKDPMOARSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:150963) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
NeuAc(a2-3)Gal(b1-3)[GlcNAc6S(b1-6)]GalNAcSUBMITTER
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G44980KUGlyTouCan
G44980KUGlyGen