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CHEBI:154485 - (2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-2-Carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:154485
ChEBI Name(2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-2-Carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H56N2O29
Net Charge0
Average Mass956.807
Monoisotopic Mass956.29687
SMILESO=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(=O)CO)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-3/a4-b1_b3-c2_c8-d2
InChIInChI=1S/C34H56N2O29/c37-3-11(45)19(48)26-17(35-15(46)7-41)9(43)1-33(63-26,31(55)56)62-13(5-39)21(50)27-18(36-16(47)8-42)10(44)2-34(64-27,32(57)58)65-28-20(49)12(4-38)60-30(24(28)53)61-25-14(6-40)59-29(54)23(52)22(25)51/h9-14,17-30,37-45,48-54H,1-8H2,(H,35,46)(H,36,47)(H,55,56)(H,57,58)/t9-,10-,11+,12+,13+,14+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28-,29?,30-,33+,34-/m0/s1
InChIKeyXHLXGKLDBFADFB-WRTMLNCTSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-2-Carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (CHEBI:154485) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
NeuGc(a2-8)NeuGc(a2-3)Gal(b1-4)GlcSUBMITTER
Manual XrefsDatabases
G86094NYGlyTouCan
G86094NYGlyGen