Chemical Component Summary

NameN~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine
SynonymsS-methyl-L-thiocitrulline
Identifiers(2S)-2-amino-5-[(methylsulfanylcarbonimidoyl)amino]pentanoic acid
FormulaC7 H15 N3 O2 S
Molecular Weight205.278
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC
InChIInChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
InChIKeyNGVMVBQRKZPFLB-YFKPBYRVSA-N

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count27
Aromatic Bond Count0

Related Resource References

Resource NameReference
Pharos CHEMBL106516
PubChem 7048562, 107968
ChEMBL CHEMBL106516
ChEBI CHEBI:90712