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CHEBI:148270 - (2R,4S,5R,6R)-6-[(1S,2R)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,4S,5R,6R)-2-Carboxy-6-[(1S,2R)-1,3-dihydroxy-2-sulfooxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:148270
ChEBI Name(2R,4S,5R,6R)-6-[(1S,2R)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,4S,5R,6R)-2-Carboxy-6-[(1S,2R)-1,3-dihydroxy-2-sulfooxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H56N2O32S
Net Charge0
Average Mass1036.871
Monoisotopic Mass1036.25369
SMILESO=C(CO)N[C@H]1[C@H]([C@H](O)[C@@H](CO)O[C@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)OS(=O)(=O)O)O3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2122h-1a_1-5][Aad21122h-2a_2-6_5*NCCO/3=O_8*OSO/3=O/3=O]/1-2-3-4/a6-b2_b8-c1_c6-d2
InChIInChI=1S/C34H56N2O32S/c37-3-11(21(47)27-17(35-15(43)5-39)9(41)1-33(66-27,31(54)55)61-7-13-19(45)23(49)25(51)29(53)63-13)64-30-26(52)24(50)20(46)14(65-30)8-62-34(32(56)57)2-10(42)18(36-16(44)6-40)28(67-34)22(48)12(4-38)68-69(58,59)60/h9-14,17-30,37-42,45-53H,1-8H2,(H,35,43)(H,36,44)(H,54,55)(H,56,57)(H,58,59,60)/t9-,10-,11+,12+,13+,14+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30-,33+,34+/m0/s1
InChIKeyNHZIWAHOGPRIMJ-ULCDHAMGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-6-[(1S,2R)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,4S,5R,6R)-2-Carboxy-6-[(1S,2R)-1,3-dihydroxy-2-sulfooxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid (CHEBI:148270) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
3,5-dideoxy-5-glycolamido-8-O-sulfo-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-alpha-D-gluco-hexopyranosyl-(1->8)-3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-gluco-hexopyranoseSUBMITTER
NeuGc8S(a2-6)Glc(a1-8)NeuGc(a2-6)b-GlcSUBMITTER
Manual XrefsDatabases
G20404GKGlyTouCan
G20404GKGlyGen