CHEBI:182977 - 3-Mercapto-3-methyl-1-butyl acetate

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ChEBI Name 3-Mercapto-3-methyl-1-butyl acetate
ChEBI ID CHEBI:182977
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H14O2S
Net Charge 0
Average Mass 162.250
Monoisotopic Mass 162.07145
InChI InChI=1S/C7H14O2S/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3
InChIKey HEZWKNVLHZGPOE-UHFFFAOYSA-N
SMILES SC(CCOC(=O)C)(C)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in Esophagus (BTO:0000959). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Mercapto-3-methyl-1-butyl acetate (CHEBI:182977) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(3-methyl-3-sulanylbutyl) acetate
Manual Xrefs Databases
4925940 ChemSpider
HMDB0039227 HMDB
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Registry Number Type Source
50746-09-3 CAS Registry Number ChemIDplus