Chemical Components in the PDB

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2HF : Summary

Code

2HF

One-letter code

H

Molecule name

2-fluoro-L-histidine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(2-fluoro-1H-imidazol-3-ium-4-yl)-L-alanine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-3-(2-fluoro-1H-imidazol-3-ium-4-yl)propanoic acid

Formula

C6 H9 F N3 O2

Formal charge

1

Molecular weight

174.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc1[nH+]c(cn1)CC(N)C(=O)O
SMILES CACTVS 3.370 N[CH](Cc1c[nH]c(F)[nH+]1)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 c1c([nH+]c([nH]1)F)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1c[nH]c(F)[nH+]1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H8FN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/p+1/t4-/m0/s1

IUPAC InChI key

OYHWICVZBUWSBK-BYPYZUCNSA-O
2HF

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

HIS

Defined at

2010-04-22

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned