(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)

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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

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ChEBI ID	CHEBI:95116
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
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C21H41N5O11
Net Charge	0
Average Mass	539.583
Monoisotopic Mass	539.28026
SMILES	CNC1C(O)C2O[C@H](OC3C(N)C[C@@H](N)C(O)[C@H]3O)C(N)C[C@@H]2O[C@@H]1O[C@H]1OC(CO)[C@@H](N)[C@H](O)C1O
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

ChEBI Ontology

Outgoing Relation(s)
	(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 Xrefs	Databases
LSM-6381	LINCS