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HIS

Summary
Name:HISTIDINE
Formula:C6 H10 N3 O2
Formal charge:1
Formula weight:156.162 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(1H-imidazol-3-ium-4-yl)-L-alanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc1cnc[nH+]1
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
SMILESCACTVS3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyInChI1.03HNDVDQJCIGZPNO-YFKPBYRVSA-O

217157

PDB entries from 2024-03-13

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