Chemical Components in the PDB

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RGL : Summary

Code

RGL

One-letter code

R

Molecule name

ARGINAL

Systematic names

ProgramVersionName
ACDLabs 10.04 amino{[(4S)-4-amino-5-oxopentyl]amino}methaniminium
OpenEye OEToolkits 1.6.1 [amino-[[(4S)-4-amino-5-oxo-pentyl]amino]methylidene]azanium

Formula

C6 H15 N4 O

Formal charge

1

Molecular weight

159.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CC(N)CCCN\C(=[NH2+])N
SMILES CACTVS 3.352 N[CH](CCCNC(N)=[NH2+])C=O
SMILES OpenEye OEToolkits 1.6.1 C(CC(C=O)N)CNC(=[NH2+])N
Canonical SMILES CACTVS 3.352 N[C@@H](CCCNC(N)=[NH2+])C=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C(C[C@@H](C=O)N)CNC(=[NH2+])N

IUPAC InChI

InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1

IUPAC InChI key

QJYRUYURLPTHLR-YFKPBYRVSA-O
RGL

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ARG

Defined at

2010-05-18

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned