HIQ
Summary
| Name: | 1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-L-HISTIDINE |
| Formula: | C9 H15 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 245.232 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-L-histidine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[1-(1,2,3-trihydroxypropan-2-yl)imidazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1ncn(c1)C(O)(CO)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1cn(cn1)C(O)(CO)CO)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1cn(cn1)C(O)(CO)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(ncn1C(CO)(CO)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(ncn1C(CO)(CO)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O5/c10-7(8(15)16)1-6-2-12(5-11-6)9(17,3-13)4-14/h2,5,7,13-14,17H,1,3-4,10H2,(H,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZPTMCRRAIQUWQU-ZETCQYMHSA-N |
