CHEBI:172910 - 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol

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ChEBI Name 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
ChEBI ID CHEBI:172910
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H18OS2
Net Charge 0
Average Mass 194.350
Monoisotopic Mass 194.07991
InChI InChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3
InChIKey PHLKBLKTWMSFGF-UHFFFAOYSA-N
SMILES S(C(C(S)C)C)C(C(O)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol (CHEBI:172910) is a secondary alcohol (CHEBI:35681)
IUPAC Name
3-(3-sulanylbutan-2-ylsulanyl)butan-2-ol
Manual Xrefs Databases
55927 ChemSpider
HMDB0037295 HMDB
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Registry Number Type Source
54957-02-7 CAS Registry Number ChemIDplus