Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

0MG : Summary

Code

0MG

One-letter code

X

Molecule name

amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium

Systematic names

ProgramVersionName
ACDLabs 12.01 amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
OpenEye OEToolkits 1.7.0 [azanyl-[[(4S)-4-azanyl-6-hydroxy-5,6-dioxo-hexyl]amino]methylidene]azanium

Formula

C7 H15 N4 O3

Formal charge

1

Molecular weight

203.219 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C(=O)O)C(N)CCCNC(=[NH2+])\N
SMILES CACTVS 3.370 N[CH](CCCNC(N)=[NH2+])C(=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CC(C(=O)C(=O)O)N)CNC(=[NH2+])N
Canonical SMILES CACTVS 3.370 N[C@@H](CCCNC(N)=[NH2+])C(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N

IUPAC InChI

InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1

IUPAC InChI key

AUQVKRMFIITHQU-BYPYZUCNSA-O
0MG

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-09-24

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned