STA
STATINE
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 2 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | STATINE |
Systematic Name (OpenEye OEToolkits) | (3S,4S)-4-azanyl-3-hydroxy-6-methyl-heptanoic acid |
Formula | C8 H17 N O3 |
Molecular Weight | 175.225 |
Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC(O)C(N)CC(C)C |
SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[CH](O)CC(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(CC(=O)O)O)N |
Canonical SMILES | CACTVS | 3.370 | CC(C)C[C@H](N)[C@@H](O)CC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H]([C@H](CC(=O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1 |
InChIKey | InChI | 1.03 | DFVFTMTWCUHJBL-BQBZGAKWSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 123915, 7009606 |