Chemical Components in the PDB

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ARG : Summary

Code

ARG

One-letter code

R

Molecule name

ARGININE

Systematic names

ProgramVersionName
ACDLabs 10.04 amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium
OpenEye OEToolkits 1.5.0 [amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium

Formula

C6 H15 N4 O2

Formal charge

1

Molecular weight

175.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCN\C(=[NH2+])N
SMILES CACTVS 3.341 N[CH](CCCNC(N)=[NH2+])C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(C(=O)O)N)CNC(=[NH2+])N
Canonical SMILES CACTVS 3.341 N[C@@H](CCCNC(N)=[NH2+])C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N

IUPAC InChI

InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1

IUPAC InChI key

ODKSFYDXXFIFQN-BYPYZUCNSA-O

Is part of

MIT , MIU , QWE , ZRA , 0E6 , 0G7 , 0HZ , 0Q4 , 0ZI , 15U , 1ZD , 2NC , H37 , KVI , KVS
ARG

wwPDB Information

Atom count

27 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned