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HIP

Summary
Name:ND1-PHOSPHONOHISTIDINE
Formula:C6 H11 N3 O5 P
Formal charge:1
Formula weight:236.142 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(1-phosphono-1H-imidazol-3-ium-5-yl)-L-alanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-(3-phosphonoimidazol-1-ium-4-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)n1c(c[nH+]c1)CC(C(=O)O)N
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1c[nH+]cn1[P](O)(O)=O)C(O)=O
SMILESCACTVS3.341N[CH](Cc1c[nH+]cn1[P](O)(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1c(n(c[nH+]1)P(=O)(O)O)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1
InChIKeyInChI1.03VOHVXLVXSYAFOA-YFKPBYRVSA-O

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PDB entries from 2024-08-07

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