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CHEBI:156968 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:156968
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H32N2O14
Net Charge0
Average Mass512.465
Monoisotopic Mass512.18535
SMILESCC(=O)N[C@H]1[C@@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a1-b2
InChIInChI=1S/C19H32N2O14/c1-6(24)20-11-8(26)3-19(18(31)32,34-16(11)13(28)9(27)4-22)35-17-12(21-7(2)25)15(30)14(29)10(5-23)33-17/h8-17,22-23,26-30H,3-5H2,1-2H3,(H,20,24)(H,21,25)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17+,19-/m0/s1
InChIKeyIXNCQSGFAVQEFD-IFFCIQPOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156968) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Manual XrefsDatabases
G38361UZGlyTouCan
G38361UZGlyGen