152
Summary
| Name: | CARNITINE |
| Synonyms: | (3-CARBOXY-2-(R)-HYDROXY-PROPYL)-TRIMETHYL-AMMONIUM |
| Formula: | C7 H16 N O3 |
| Formal charge: | 1 |
| Formula weight: | 162.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium |
| OpenEye OEToolkits | 1.5.0 | [(2R)-2,4-dihydroxy-4-oxo-butyl]-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)C[N+](C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[N+](C)(C)C[C@H](O)CC(O)=O |
| SMILES | CACTVS | 3.341 | C[N+](C)(C)C[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)C[C@@H](CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)CC(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | PHIQHXFUZVPYII-ZCFIWIBFSA-O |
