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CHEBI:186037 - S-methyl-L-Thiocitrulline (hydrochloride)

ChEBI IDCHEBI:186037
ChEBI NameS-methyl-L-Thiocitrulline (hydrochloride)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H15N3O2S.2HCl
Net Charge0
Average Mass278.205
Monoisotopic Mass277.04185
SMILESCS/C(N)=N\CCC[C@H](N)C(=O)O.Cl.Cl
InChIInChI=1S/C7H15N3O2S.2ClH/c1-13-7(9)10-4-2-3-5(8)6(11)12;;/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12);2*1H/t5-;;/m0../s1
InChIKeyJNZHDSKJUXGYRG-XRIGFGBMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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).
ChEBI Ontology
Outgoing Relation(s)
S-methyl-L-Thiocitrulline (hydrochloride) (CHEBI:186037) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
(2S)-2-amino-5-[[amino(methylsulanyl)methylidene]amino]pentanoic acid;dihydrochloride
Manual XrefsDatabases
2015296ChemSpider