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CHEBI:90712 - S-methyl-L-thiocitrulline
| Formula | C7H15N3O2S |
| Net Charge | 0 |
| Average Mass | 205.283 |
| Monoisotopic Mass | 205.08850 |
| SMILES | CSC(=N)NCCC[C@H](N)C(=O)O |
| InChI | InChI=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 |
| InChIKey | NGVMVBQRKZPFLB-YFKPBYRVSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | EC 1.14.13.39 (nitric oxide synthase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39). |
| Application: | neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| S-methyl-L-thiocitrulline (CHEBI:90712) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908) |
| S-methyl-L-thiocitrulline (CHEBI:90712) has role neuroprotective agent (CHEBI:63726) |
| S-methyl-L-thiocitrulline (CHEBI:90712) is a L-arginine derivative (CHEBI:83965) |
| S-methyl-L-thiocitrulline (CHEBI:90712) is a L-ornithine derivative (CHEBI:21368) |
| S-methyl-L-thiocitrulline (CHEBI:90712) is a imidothiocarbamic ester (CHEBI:38914) |
| S-methyl-L-thiocitrulline (CHEBI:90712) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| IUPAC Name |
|---|
| N5-[imino(methylsulfanyl)methyl]-L-ornithine |
| Synonyms | Source |
|---|---|
| S-Methylthiocitrulline | ChemIDplus |
| L-S-Methylthiocitrulline | ChemIDplus |
| N(delta)-(S-Methylisothioureido)norvaline | ChemIDplus |
| N5-(Imino(methylthio)methyl)-L-ornithine | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6845151 | Reaxys |
| CAS:156719-41-4 | ChemIDplus |
| Citations |
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