EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139389 - thiocitrulline

ChEBI IDCHEBI:139389
ChEBI Namethiocitrulline
Stars
Last Modified9 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC6H13N3O2S
Net Charge0
Average Mass191.256
Monoisotopic Mass191.07285
SMILESNC(=S)NCCCC(N)C(=O)O
InChIInChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
InChIKeyBKGWACHYAMTLAF-UHFFFAOYSA-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).
ChEBI Ontology
Outgoing Relation(s)
thiocitrulline (CHEBI:139389) is a α-amino acid (CHEBI:33704)
Manual XrefsDatabases
2600221ChemSpider