HSK
3-hydroxy-L-histidine
Created: | 2014-05-01 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 1 |
Bond Count | 21 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 3-hydroxy-L-histidine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-3-(3-oxidanylimidazol-4-yl)propanoic acid |
Formula | C6 H9 N3 O3 |
Molecular Weight | 171.154 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1cncn1O |
SMILES | CACTVS | 3.385 | N[CH](Cc1cncn1O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1c(n(cn1)O)CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](Cc1cncn1O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1c(n(cn1)O)C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | 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 | 1.03 | MPVGZUDRATZEEE-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 54085008 |