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CHEBI:146733 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:146733
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC31H52N2O23
Net Charge0
Average Mass820.748
Monoisotopic Mass820.29609
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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4/a3-b1_a4-d1_b6-c2
InChIInChI=1S/C31H52N2O23/c1-8-17(40)20(43)22(45)28(51-8)54-24-13(6-35)52-27(47)16(33-10(3)37)26(24)55-29-23(46)21(44)19(42)14(53-29)7-50-31(30(48)49)4-11(38)15(32-9(2)36)25(56-31)18(41)12(39)5-34/h8,11-29,34-35,38-47H,4-7H2,1-3H3,(H,32,36)(H,33,37)(H,48,49)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22-,23+,24+,25+,26+,27?,28-,29-,31+/m0/s1
InChIKeyIDJCXNHHTRUKFP-WVJLIFNXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:146733) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-3)[Fuc(a1-4)]GlcNAcSUBMITTER
Manual XrefsDatabases
G04656HHGlyGen
G04656HHGlyTouCan