CHEBI:172409 - 2-[(Methylthio)methyl]-2-butenal

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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 2-[(Methylthio)methyl]-2-butenal
ChEBI ID CHEBI:172409
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H10OS
Net Charge 0
Average Mass 130.210
Monoisotopic Mass 130.04524
InChI InChI=1S/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3+
InChIKey IBSLHWQWKUNIJE-ZZXKWVIFSA-N
SMILES S(C/C(=C/C)/C=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-[(Methylthio)methyl]-2-butenal (CHEBI:172409) is a enal (CHEBI:51688)
IUPAC Name
(E)-2-(methylsulanylmethyl)but-2-enal
Manual Xrefs Databases
30776898 ChemSpider
HMDB0031370 HMDB
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