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CHEBI:150601 - 6-[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,6R)-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:150601
ChEBI Name6-[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,6R)-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)NC1C(O)CC(O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)OC1C(O)C(CO)O[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aadxxxxxh-2a_2-6_5*NCCO/3=O][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-4/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-IOJDWNPDSA-N
ChEBI Ontology
Outgoing Relation(s)
6-[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,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (CHEBI:150601) 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-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
NeuGc(a2-8)3-deoxy-Non2ulo5NGc-onic(?2-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G42045GMGlyGen
G42045GMGlyTouCan