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CHEBI:153774 - (2S,4S,5R,6R)-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]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide

ChEBI IDCHEBI:153774
ChEBI Name(2S,4S,5R,6R)-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]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H40N2O19
Net Charge0
Average Mass648.568
Monoisotopic Mass648.22253
SMILESNC(=O)[C@@]1(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[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_1*N_5*NCCO/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C23H40N2O19/c24-22(39)23(1-6(30)11(25-10(32)5-29)18(43-23)12(33)7(31)2-26)44-19-13(34)8(3-27)41-21(16(19)37)42-17-9(4-28)40-20(38)15(36)14(17)35/h6-9,11-21,26-31,33-38H,1-5H2,(H2,24,39)(H,25,32)/t6-,7+,8+,9+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1
InChIKeyJBBJUSCQFLYWCY-RRDLSPBXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-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]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide (CHEBI:153774) is a amino sugar (CHEBI:28963)
Manual XrefsDatabases
G74560AGGlyTouCan
G74560AGGlyGen