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GtoPdb Ligand ID: 5271

Synonyms: symmetric dimethylarginine
PDB Ligand
Compound class: Metabolite
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 99.74
Molecular weight 202.14
XLogP -2.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=NC)NCCCC(C(=O)O)N
Isomeric SMILES CN/C(=N\C)/NCCC[C@@H](C(=O)O)N
InChI InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChI Key HVPFXCBJHIIJGS-LURJTMIESA-N