2RH
(2R)-2-hydroxy-4-methylpentanoic acid
Created: | 2010-07-28 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 1 |
Bond Count | 20 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2R)-2-hydroxy-4-methylpentanoic acid |
Synonyms | (R)-2-hydroxyisocaproate |
Systematic Name (OpenEye OEToolkits) | (2R)-2-hydroxy-4-methyl-pentanoic acid |
Formula | C6 H12 O3 |
Molecular Weight | 132.158 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(O)CC(C)C |
SMILES | CACTVS | 3.370 | CC(C)C[CH](O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(=O)O)O |
Canonical SMILES | CACTVS | 3.370 | CC(C)C[C@@H](O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@H](C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1 |
InChIKey | InChI | 1.03 | LVRFTAZAXQPQHI-RXMQYKEDSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 439960 |
ChEBI | CHEBI:55534 |