KAP
Summary
| Name: | 7-KETO-8-AMINOPELARGONIC ACID |
| Formula: | C9 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 187.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (8S)-8-amino-7-oxononanoic acid |
| OpenEye OEToolkits | 1.5.0 | (8S)-8-amino-7-oxo-nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CCCCCC(=O)O)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)C(=O)CCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N)C(=O)CCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)CCCCCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)CCCCCC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | GUAHPAJOXVYFON-ZETCQYMHSA-N |
