CHEBI:167086 - Methyl pentyl disulfide

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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 Methyl pentyl disulfide
ChEBI ID CHEBI:167086
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H14S2
Net Charge 0
Average Mass 150.300
Monoisotopic Mass 150.05369
InChI InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3
InChIKey VDJXDNLYBDHPHP-UHFFFAOYSA-N
SMILES S(SC)CCCCC
Metabolite of Species Details
Tuber magnatum (NCBI:txid42249) Found in fruit body (BTO:0000487). of strain Tuber magnatum Pico See: MetaboLights Study
ChEBI Ontology
Outgoing Methyl pentyl disulfide (CHEBI:167086) is a organic disulfide (CHEBI:35489)
IUPAC Name
1-(methyldisulanyl)pentane
Manual Xrefs Databases
455742 ChemSpider
HMDB0031161 HMDB
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Registry Number Type Source
72437-68-4 CAS Registry Number ChemIDplus