EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:154214 - (2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-amino-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:154214
ChEBI Name(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-amino-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H40N2O18
Net Charge0
Average Mass632.569
Monoisotopic Mass632.22761
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*N]/1-2-3/a3-b1_a6-c2
InChIInChI=1S/C23H40N2O18/c1-6(28)25-12-19(42-21-17(35)16(34)14(32)9(4-27)41-21)15(33)10(40-20(12)36)5-39-23(22(37)38)2-7(29)11(24)18(43-23)13(31)8(30)3-26/h7-21,26-27,29-36H,2-5,24H2,1H3,(H,25,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+,19+,20-,21-,23+/m0/s1
InChIKeyRTKNGRYHZLIAHU-YALAIOGLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-amino-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:154214) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->3)-[5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Gal(b1-3)[Neu(a2-6)]a-GalNAcSUBMITTER
Manual XrefsDatabases
G76073CCGlyGen
G76073CCGlyTouCan