Chemical Components in the PDB

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RPI : Summary

Code

RPI

One-letter code

R

Molecule name

phospho-arginine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (2~{S})-2-azanyl-5-[(~{N}-phosphonocarbamimidoyl)amino]pentanoic acid

Formula

C6 H15 N4 O5 P

Formal charge

0

Molecular weight

254.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CCCNC(=N)N[P](O)(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 C(CC(C(=O)O)N)CNC(=N)NP(=O)(O)O
Canonical SMILES CACTVS 3.385 N[C@@H](CCCNC(=N)N[P](O)(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 [H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O

IUPAC InChI

InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1

IUPAC InChI key

CCTIOCVIZPCTGO-BYPYZUCNSA-N
RPI

wwPDB Information

Atom count

31 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

ARG

Defined at

2016-01-02

Last modified at

2016-10-07

Status

Released

Obsoleted

Not Assigned