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CHEBI:147698 - (4S,5R,6R)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:147698
ChEBI Name(4S,5R,6R)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H45N3O19
Net Charge0
Average Mass715.659
Monoisotopic Mass715.26473
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[Aad21122h-2x_2-6_5*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a4-b1_b4-c1
InChIInChI=1S/C27H45N3O19/c1-8(34)28-15-12(4-27(44,26(42)43)49-23(15)18(38)11(37)5-31)45-24-17(30-10(3)36)21(41)22(14(7-33)47-24)48-25-16(29-9(2)35)20(40)19(39)13(6-32)46-25/h11-25,31-33,37-41,44H,4-7H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)(H,42,43)/t11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,27?/m1/s1
InChIKeyHCPGSDZXPBTIBP-AXQAEHQNSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:147698) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acidSUBMITTER
GlcNAc(b1-4)GlcNAc(b1-4)NeuAcSUBMITTER
Manual XrefsDatabases
G11890NVGlyTouCan