MNM
(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE
Created: | 2005-08-31 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 4 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE |
Systematic Name (OpenEye OEToolkits) | (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol |
Formula | C6 H13 N O4 |
Molecular Weight | 163.172 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(CNC(O)C1O)CO |
SMILES | CACTVS | 3.341 | OC[CH]1CN[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(N1)O)O)O)CO |
Canonical SMILES | CACTVS | 3.341 | OC[C@H]1CN[C@@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO |
InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1 |
InChIKey | InChI | 1.03 | BHOYFRIRWXBNHP-ZXXMMSQZSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 11840962 |