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CHEBI:157058 - (4S,5R,6R)-2-[[(2R,3R,4S,5R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:157058
ChEBI Name(4S,5R,6R)-2-[[(2R,3R,4S,5R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H42N2O20
Net Charge0
Average Mass690.605
Monoisotopic Mass690.23309
SMILESCC(=O)N[C@@H]1[C@@H](OC2O[C@H](COC3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2-3/a3-b1_b6-c2
InChIInChI=1S/C25H42N2O20/c1-7(31)26-14-20(17(37)10(4-29)44-22(14)40)46-23-19(39)18(38)16(36)11(45-23)6-43-25(24(41)42)2-8(32)13(27-12(34)5-30)21(47-25)15(35)9(33)3-28/h8-11,13-23,28-30,32-33,35-40H,2-6H2,1H3,(H,26,31)(H,27,34)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22-,23?,25?/m0/s1
InChIKeyXWQFZUQFJHAGFR-ZRWOAVMXSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-2-[[(2R,3R,4S,5R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:157058) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
NeuGc(?2-6)Gal(?1-3)a-GalNAcSUBMITTER
Manual XrefsDatabases
G24946XUGlyGen
G24946XUGlyTouCan