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CHEBI:151830 - (4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:151830
ChEBI Name(4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H36N2O17
Net Charge0
Average Mass600.527
Monoisotopic Mass600.20140
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)OC(O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/2,2,1/[Aad21122h-2x_2-6_5*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a9-b2
InChIInChI=1S/C22H36N2O17/c1-7(26)23-13-9(28)3-21(38,19(34)35)40-17(13)16(33)12(31)6-39-22(20(36)37)4-10(29)14(24-8(2)27)18(41-22)15(32)11(30)5-25/h9-18,25,28-33,38H,3-6H2,1-2H3,(H,23,26)(H,24,27)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21?,22+/m0/s1
InChIKeyNDVPOLIHSIQAGT-LSLZQTMLSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid (CHEBI:151830) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->9)-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acidSUBMITTER
NeuAc(a2-9)NeuAcSUBMITTER
Manual XrefsDatabases
G49129XZGlyTouCan
G49129XZGlyGen