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XXX : Summary
Code
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XXX
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One-letter code
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X
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Molecule name
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(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
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Synonyms
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(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL
NEOMYCIN A
NEAMINE
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl
2,6-diamino-2,6-dideoxy-alpha-D-glucoside
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl
2,6-diamino-2,6-dideoxy-D-glucoside
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl
2,6-diamino-2,6-dideoxy-glucoside
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Systematic names
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Formula
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C12 H26 N4 O6
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Formal charge
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0
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Molecular weight
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322.358 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O(C1C(O)C(O)C(N)CC1N)C2OC(C(O)C(O)C2N)CN |
SMILES
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CACTVS |
3.341 |
NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O)[CH](N)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N |
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IUPAC InChI | InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1 |
IUPAC InChI key | SYJXFKPQNSDJLI-HKEUSBCWSA-N |
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wwPDB Information |
Atom count
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48 (22 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide
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Type code
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ATOMS
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2005-11-03
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Last modified at
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2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
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