CHEBI:191604 - 3-Mercapto-3-methylbutyl formate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Mercapto-3-methylbutyl formate
ChEBI ID CHEBI:191604
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H12O2S
Net Charge 0
Average Mass 148.220
Monoisotopic Mass 148.05580
InChI InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
InChIKey VTAPYUYITKYXJB-UHFFFAOYSA-N
SMILES SC(CCOC=O)(C)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Mercapto-3-methylbutyl formate (CHEBI:191604) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(3-methyl-3-sulanylbutyl) ormate
Manual Xrefs Databases
458985 ChemSpider
D70907 KEGG DRUG
HMDB0036193 HMDB
View more database links
Registry Number Type Source
50746-10-6 CAS Registry Number ChemIDplus