EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191157 - Propanoic acid, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-

ChEBI IDCHEBI:191157
ChEBI NamePropanoic acid, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12N4O2S2
Net Charge0
Average Mass260.344
Monoisotopic Mass260.04017
SMILESNC(N)=Nc1nc(CSCCC(=O)O)cs1
InChIInChI=1S/C8H12N4O2S2/c9-7(10)12-8-11-5(4-16-8)3-15-2-1-6(13)14/h4H,1-3H2,(H,13,14)(H4,9,10,11,12)
InChIKeyJEGZXDCDUSGFSB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Propanoic acid, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]- (CHEBI:191157) is a thiazoles (CHEBI:48901)
IUPAC Name 
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulanyl]propanoic acid
Manual XrefsDatabases
96397851ChemSpider
Registry NumbersSources
CAS:107880-74-0ChemIDplus