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CHEBI:153266 - (4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,4,6-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:153266
ChEBI Name(4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,4,6-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
FormulaC19H32N2O15
Net Charge0
Average Mass528.464
Monoisotopic Mass528.18027
SMILESCC(=O)N[C@H]1C(O)O[C@H](COC2(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2/a6-b2
InChIInChI=1S/C19H32N2O15/c1-6(24)20-12-15(30)14(29)9(35-17(12)31)5-34-19(18(32)33)2-7(25)11(21-10(27)4-23)16(36-19)13(28)8(26)3-22/h7-9,11-17,22-23,25-26,28-31H,2-5H2,1H3,(H,20,24)(H,21,27)(H,32,33)/t7-,8+,9+,11+,12+,13+,14-,15+,16+,17?,19?/m0/s1
InChIKeyIKLJMSMMTKMQHU-IXWLQGBLSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153266) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
NeuGc(?2-6)GalNAcSUBMITTER
Manual XrefsDatabases
G72025CCGlyGen
G72025CCGlyTouCan