CHEBI:230802 - s-isopropyl 3-methylbut-2-enethioate

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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 s-isopropyl 3-methylbut-2-enethioate
ChEBI ID CHEBI:230802
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14OS
Net Charge 0
Average Mass 158.260
Monoisotopic Mass 158.07654
InChI InChI=1S/C8H14OS/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3
InChIKey IZVXTRDVESJRTA-UHFFFAOYSA-N
SMILES S(C(C)C)C(=O)C=C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing s-isopropyl 3-methylbut-2-enethioate (CHEBI:230802) is a organic molecular entity (CHEBI:50860)
IUPAC Name
S-propan-2-yl 3-methylbut-2-enethioate
Manual Xrefs Databases
106035 ChemSpider
HMDB0032354 HMDB
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