QPA
Summary
| Name: | S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine |
| Formula: | C6 H12 N O8 P S |
| Formal charge: | 0 |
| Formula weight: | 289.2 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-phosphonooxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(OP(=O)(O)O)(SCC(C(=O)O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C6H12NO8PS/c1-6(5(10)11,15-16(12,13)14)17-2-3(7)4(8)9/h3H,2,7H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | SOTXSLHXKDYAQY-DZSWIPIPSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@](O[P](O)(O)=O)(SC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | C[C](O[P](O)(O)=O)(SC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C(=O)O)(OP(=O)(O)O)SCC(C(=O)O)N |
