S-Methyl-L-thiocitrulline

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Systematic / IUPAC Name: N5-[(Methylsulfanyl)carbonoimidoyl]-L-ornithine

ID: Reference1768

Other Names: N5-[Imino(methylthio)methyl]-L-ornithine ;
S-Methylthiocitrulline;
L-Ornithine, N5-[imino(methylthio)methyl]-

Formula: C7H15N3O2S

Spectral Data

S-Methyl-L-thiocitrulline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 134
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/13/2017 1:18:50 PM
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Identificators

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
InChI Key NGVMVBQRKZPFLB-YFKPBYRVSA-N
Canonical SMILES CSC(=NCCCC(C(=O)O)N)N
CAS 156719414
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Other Names N5-[Imino(methylthio)methyl]-L-ornithine ;
S-Methylthiocitrulline;
L-Ornithine, N5-[imino(methylthio)methyl]-

In Other Databases

ChemSpider 97085
PubChem 107968
ChemIDPlus 156719414
ChEMBL CHEMBL106516