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CHEBI:148266 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:148266
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H47N3O20
Net Charge0
Average Mass757.696
Monoisotopic Mass757.27529
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O3)OC(O)[C@@H]2NC(C)=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][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O_9*OCC/3=O]/1-2-3/a3-b1_a6-c2
InChIInChI=1S/C29H47N3O20/c1-9(34)30-17-13(38)5-29(28(45)46,52-25(17)20(40)14(39)7-47-12(4)37)48-8-16-22(42)24(19(26(44)49-16)32-11(3)36)51-27-18(31-10(2)35)23(43)21(41)15(6-33)50-27/h13-27,33,38-44H,5-8H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)(H,45,46)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24+,25+,26?,27-,29+/m0/s1
InChIKeyXEBCRFXZDCGQOC-LMEPMNPQSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid (CHEBI:148266) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
GlcNAc(b1-3)[NeuAc9Ac(a2-6)]GalNAcSUBMITTER
Manual XrefsDatabases
G20290UIGlyTouCan
G20290UIGlyGen