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CHEBI:152478 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:152478
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H56N2O27
Net Charge0
Average Mass924.809
Monoisotopic Mass924.30704
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)(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*NCC/3=O]/1-2-3-3/a4-b1_b3-c2_b6-d2
InChIInChI=1S/C34H56N2O27/c1-9(40)35-17-11(42)3-33(31(53)54,61-26(17)19(46)13(44)5-37)57-8-16-21(48)28(24(51)30(59-16)60-25-15(7-39)58-29(52)23(50)22(25)49)63-34(32(55)56)4-12(43)18(36-10(2)41)27(62-34)20(47)14(45)6-38/h11-30,37-39,42-52H,3-8H2,1-2H3,(H,35,40)(H,36,41)(H,53,54)(H,55,56)/t11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27+,28-,29?,30-,33+,34-/m0/s1
InChIKeyUNBPDLSRKXGUBJ-DVDGJGEMSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:152478) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)[NeuAc(a2-6)]Gal(b1-4)GlcSUBMITTER
Manual XrefsDatabases
G59577RAGlyGen
G59577RAGlyTouCan