CHEBI:173459 - 3-(Methylthio)butanal

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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 3-(Methylthio)butanal
ChEBI ID CHEBI:173459
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C5H10OS
Net Charge 0
Average Mass 118.190
Monoisotopic Mass 118.04524
InChI InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
InChIKey NCBDFIPMWRKPDU-UHFFFAOYSA-N
SMILES S(C(CC=O)C)C
ChEBI Ontology
Outgoing 3-(Methylthio)butanal (CHEBI:173459) is a aldehyde (CHEBI:17478)
IUPAC Name
3-methylsulanylbutanal
Manual Xrefs Databases
55717 ChemSpider
HMDB0041491 HMDB
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Registry Number Type Source
16630-52-7 CAS Registry Number ChemIDplus