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CHEBI:151877 - (4S,5R,6R)-5-Acetamido-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:151877
ChEBI Name(4S,5R,6R)-5-Acetamido-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H29NO14
Net Charge0
Average Mass471.412
Monoisotopic Mass471.15880
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@@H](CO)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/2,2,1/[Aad21122h-2x_2-6_5*NCC/3=O][a2112h-1b_1-5]/1-2/a8-b1
InChIInChI=1S/C17H29NO14/c1-5(21)18-9-6(22)2-17(29,16(27)28)32-14(9)11(24)8(4-20)31-15-13(26)12(25)10(23)7(3-19)30-15/h6-15,19-20,22-26,29H,2-4H2,1H3,(H,18,21)(H,27,28)/t6-,7+,8+,9+,10-,11+,12-,13+,14+,15-,17?/m0/s1
InChIKeyBRNFCLZZCXEERD-LAADVBFBSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid (CHEBI:151877) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->8)-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acidSUBMITTER
Gal(b1-8)NeuAcSUBMITTER
Manual XrefsDatabases
G49735KFGlyTouCan
G49735KFGlyGen