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CHEBI:155313 - (2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-Acetamido-2-carboxy-4-hydroxy-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:155313
ChEBI Name(2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-Acetamido-2-carboxy-4-hydroxy-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
FormulaC34H56N2O28
Net Charge0
Average Mass940.808
Monoisotopic Mass940.30196
SMILESCC(=O)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=2.0/4,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_c8-d2
InChIInChI=1S/C34H56N2O28/c1-9(42)35-17-10(43)2-33(31(54)55,62-26(17)19(47)12(45)4-37)61-14(6-39)21(49)27-18(36-16(46)8-41)11(44)3-34(63-27,32(56)57)64-28-20(48)13(5-38)59-30(24(28)52)60-25-15(7-40)58-29(53)23(51)22(25)50/h10-15,17-30,37-41,43-45,47-53H,2-8H2,1H3,(H,35,42)(H,36,46)(H,54,55)(H,56,57)/t10-,11-,12+,13+,14+,15+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28-,29?,30-,33+,34-/m0/s1
InChIKeyCLSOQKIKTQJAPA-YCKHDIIISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-Acetamido-2-carboxy-4-hydroxy-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:155313) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-acetamido-3,5-dideoxy-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
NeuAc(a2-8)NeuGc(a2-3)Gal(b1-4)GlcSUBMITTER
Manual XrefsDatabases
G95233MFGlyGen
G95233MFGlyTouCan