EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173803 - Berteroin

ChEBI IDCHEBI:173803
ChEBI NameBerteroin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13NS2
Net Charge0
Average Mass175.322
Monoisotopic Mass175.04894
SMILESCSCCCCCN=C=S
InChIInChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
InChIKeyHBVIMVJTUQNSEP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Berteroin (CHEBI:173803) is a isothiocyanate (CHEBI:52221)
IUPAC Name 
1-isothiocyanato-5-methylsulanylpentane
Manual XrefsDatabases
HMDB0031577HMDB
178520ChemSpider
Registry NumbersSources
CAS:4430-42-6ChemIDplus