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CHEBI:147595 - (4S,5R,6R)-5-Acetamido-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:147595
ChEBI Name(4S,5R,6R)-5-Acetamido-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H39NO19
Net Charge0
Average Mass633.553
Monoisotopic Mass633.21163
SMILESCC(=O)N[C@H]1[C@H]([C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)OC(O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[Aad21122h-2x_2-6_5*NCC/3=O][a2122h-1b_1-5][a2112h-1a_1-5]/1-2-3/a7-b1_b6-c1
InChIInChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(38,22(36)37)43-19(11)18(8(29)3-25)42-21-17(35)15(33)13(31)10(41-21)5-39-20-16(34)14(32)12(30)9(4-26)40-20/h7-21,25-26,28-35,38H,2-5H2,1H3,(H,24,27)(H,36,37)/t7-,8+,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19+,20-,21-,23?/m0/s1
InChIKeyZMAZLQNRZNZTFA-IDSCDBTLSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid (CHEBI:147595) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->6)-beta-D-gluco-hexopyranosyl-(1->7)-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acidSUBMITTER
Gal(a1-6)Glc(b1-7)NeuAcSUBMITTER
Manual XrefsDatabases
G14226PUGlyGen
G14226PUGlyTouCan