Compound Summary
S-Methyl-L-thiocitrulline acetate
Compound Information
S-Methyl-L-thiocitrulline acetate
Compound Name: | S-Methyl-L-thiocitrulline acetate |
Compound CID: | 11957614 |
Synonyms: | S-Methyl-L-thiocitrulline acetate S-Methyl-L-thiocitrulline acetate salt 174063-92-4 acetic acid;(2S)-2-amino-5-amino(methylsulfanyl)methylideneaminopentanoic acid SR-01000075480 More... |
Iupac Name: | acetic acid;(2S)-2-amino-5-[[amino(methylsulfanyl)methylidene]amino]pentanoic acid |
InChI: | InChI=1S/C7H15N3O2S.C2H4O2/c1-13-7(9)10-4-2-3-5(8)6(11)12;1-2(3)4/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12);1H3,(H,3,4)/t5-;/m0./s1 |
InChIKey: | XUKPZPRDNPUAJY-JEDNCBNOSA-N |
Canonical Smiles: | CC(=O)O.CSC(=NCCCC(C(=O)O)N)N |
Isomeric Smiles: | CC(=O)O.CSC(=NCCC[C@@H](C(=O)O)N)N |
Molecular Weight: | 265.33 |
Molecular Formula: | C9H19N3O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
S-Methyl-L-thiocitrulline acetate
Molecular Weight: | 265.33 |
Molecular Formula: | C9H19N3O4S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 17 |
Complexity: | 227 |
Synonyms
S-Methyl-L-thiocitrulline acetate
| S-Methyl-L-thiocitrulline acetate | S-Methyl-L-thiocitrulline acetate |
|---|---|
S-Methyl-L-thiocitrulline acetate |
S-Methyl-L-thiocitrulline acetate salt |
174063-92-4 |
acetic acid;(2S)-2-amino-5-amino(methylsulfanyl)methylideneaminopentanoic acid |
SR-01000075480 |
EU-0100777 |
H-ThioCit(S-Me)-OH.AcOH |
SCHEMBL1320099 |
CHEMBL1256475 |
DTXSID70474693 |
HMS3262K16 |
Tox21_500777 |
MFCD01310525 |
CCG-222081 |
LP00777 |
NCGC00094114-01 |
NCGC00261462-01 |
M 5171 |
N5-Imino(methylthio)methyl-L-ornithine acetate |
J-010964 |
SR-01000075480-1 |
S-Methyl-L-thiocitrulline acetate salt, >=98% (TLC) |
(S)-2-Amino-5-((imino(methylthio)methyl)amino)pentanoic acid acetate |
Experimental Data
S-Methyl-L-thiocitrulline acetate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
S-Methyl-L-thiocitrulline acetate
Statistics Data
S-Methyl-L-thiocitrulline acetate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
S-Methyl-L-thiocitrulline acetate
