HSV
Summary
| Name: | L-histidinal |
| Formula: | C6 H10 N3 O |
| Formal charge: | 1 |
| Formula weight: | 140.163 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(2S)-2-amino-3-oxopropyl]-1H-imidazol-3-ium |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(1H-imidazol-3-ium-4-yl)propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C=O)Cc1[nH+]cnc1 |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | VYOIELONWKIZJS-YFKPBYRVSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c[nH+]1)C=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c[nH+]1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c([nH+]c[nH]1)C[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c([nH+]c[nH]1)CC(C=O)N |
