CHEBI:169161 - Bissulfine

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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 Bissulfine
ChEBI ID CHEBI:169161
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H10O2S2
Net Charge 0
Average Mass 178.260
Monoisotopic Mass 178.01222
InChI InChI=1S/C6H10O2S2/c1-5(3-9-7)6(2)4-10-8/h3-6H,1-2H3
InChIKey RUYPPTVRJRANOX-UHFFFAOYSA-N
SMILES S(=O)=CC(C(C)C=S=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Bissulfine (CHEBI:169161) is a sulfoxide (CHEBI:22063)
IUPAC Name
2,3-dimethyl-1,4-disulinylbutane
Manual Xrefs Databases
10291340 ChemSpider
HMDB0030000 HMDB
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