CHEBI:94404 - (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2S,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2S,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
ChEBI ID CHEBI:94404
Stars This entity has been manually annotated by a third party.
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Formula C17H34N4O10
Net Charge 0
Average Mass 454.473
Monoisotopic Mass 454.22749
InChI InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14?,15+,16-,17+/m1/s1
InChIKey NSKGQURZWSPSBC-MWJNYKTRSA-N
SMILES C1[C@H]([C@@H]([C@@H](C([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
ChEBI Ontology
Outgoing (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2S,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol (CHEBI:94404) is a 2-deoxystreptamine derivative (CHEBI:61800)
Manual Xref Database
LSM-5091 LINCS
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