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CHEBI:169377 - 2-Heptanethiol

ChEBI IDCHEBI:169377
ChEBI Name2-Heptanethiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H16S
Net Charge0
Average Mass132.272
Monoisotopic Mass132.09727
SMILESCCCCCC(C)S
InChIInChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKeyDAZNOIJJVKASGS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-Heptanethiol (CHEBI:169377) is a alkanethiol (CHEBI:47908)
IUPAC Name 
heptane-2-thiol
Manual XrefsDatabases
HMDB0032303HMDB
455415ChemSpider
Registry NumbersSources
CAS:628-00-2ChemIDplus