0MG

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

Created:	2010-09-24
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where 0MG is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	1
Atom Count	29
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	0

2D diagram of 0MG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
Systematic Name (OpenEye OEToolkits)	[azanyl-[[(4S)-4-azanyl-6-hydroxy-5,6-dioxo-hexyl]amino]methylidene]azanium
Formula	C₇ H₁₅ N₄ O₃
Molecular Weight	203.219
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	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
InChIKey	InChI	1.03	AUQVKRMFIITHQU-BYPYZUCNSA-O

Related Resource References

Resource Name	Reference
PubChem	137347873

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.