KSG

(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE


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Chemical Component Summary

Name(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE
SynonymsKASUGAMYCIN
Identifiers2-[[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-oxan-3-yl]amino]-2-imino-ethanoic acid
FormulaC14 H25 N3 O9
Molecular Weight379.363
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)O)O)O)O)N
InChIInChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1
InChIKeyPVTHJAPFENJVNC-MHRBZPPQSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count8
Bond Count52
Aromatic Bond Count0