HC5
Summary
| Name: | (R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM |
| Synonyms: | HEXANOYLCARNITINE |
| Formula: | C13 H26 N O4 |
| Formal charge: | 1 |
| Formula weight: | 260.35 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-3-carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium |
| OpenEye OEToolkits | 1.5.0 | [(2R)-2-hexanoyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(OC(=O)CCCCC)C[N+](C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C |
| SMILES | CACTVS | 3.341 | CCCCCC(=O)O[CH](CC(O)=O)C[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | VVPRQWTYSNDTEA-LLVKDONJSA-O |
