HSK
Summary
| Name: | 3-hydroxy-L-histidine |
| Formula: | C6 H9 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 171.154 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-L-histidine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(3-oxidanylimidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1cncn1O |
| InChI | InChI | 1.06 | InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | MPVGZUDRATZEEE-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1cncn1O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1cncn1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(n(cn1)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(n(cn1)O)CC(C(=O)O)N |
