CHEBI:95116 - (2R,4S,5S)-2-[[(2R,6S,8aS)-7-amino-6-[(2R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,4S,5S)-2-[[(2R,6S,8aS)-7-amino-6-[(2R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol
ChEBI ID CHEBI:95116
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H41N5O11
Net Charge 0
Average Mass 539.578
Monoisotopic Mass 539.28026
InChI InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6?,7?,8+,9?,10-,11?,12?,13+,14?,15-,16?,17?,18?,19+,20-,21-/m1/s1
InChIKey XZNUGFQTQHRASN-HLCQDLENSA-N
SMILES CNC1[C@H](O[C@H]2CC([C@H](OC2C1O)OC3[C@@H](C([C@@H](CC3N)N)O)O)N)O[C@@H]4C([C@H]([C@@H](C(O4)CO)N)O)O
ChEBI Ontology
Outgoing (2R,4S,5S)-2-[[(2R,6S,8aS)-7-amino-6-[(2R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol (CHEBI:95116) is a amino cyclitol (CHEBI:61689)
(2R,4S,5S)-2-[[(2R,6S,8aS)-7-amino-6-[(2R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol (CHEBI:95116) is a glycoside (CHEBI:24400)
Manual Xref Database
LSM-6381 LINCS
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Last Modified
03 March 2016