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CHEBI:155132 - (2S,4S,5R,6R)-5-Acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:155132
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H29NO17S
Net Charge0
Average Mass551.476
Monoisotopic Mass551.11562
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1b_1-5_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a3-b2
InChIInChI=1S/C17H29NO17S/c1-5(20)18-9-6(21)2-17(16(27)28,34-13(9)10(23)7(22)3-19)35-14-11(24)8(4-32-36(29,30)31)33-15(26)12(14)25/h6-15,19,21-26H,2-4H2,1H3,(H,18,20)(H,27,28)(H,29,30,31)/t6-,7+,8+,9+,10+,11-,12+,13+,14-,15+,17-/m0/s1
InChIKeyHRACMYHXDNTVKL-AQQDFGJOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxyoxane-2-carboxylic acid (CHEBI:155132) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-6-O-sulfo-beta-D-galacto-hexopyranoseSUBMITTER
NeuAc(a2-3)b-Gal6SSUBMITTER
Manual XrefsDatabases
G94470QHGlyGen
G94470QHGlyTouCan