CHEBI:211913 - 4-(Methylsulfanyl)butan-2-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 4-(Methylsulfanyl)butan-2-ol
ChEBI ID CHEBI:211913
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H12OS
Net Charge 0
Average Mass 120.210
Monoisotopic Mass 120.06089
InChI InChI=1S/C5H12OS/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3/t5-/m1/s1
InChIKey BQFFCKMCUHRYIN-RXMQYKEDSA-N
SMILES S(CC[C@H](O)C)C
Metabolite of Species Details
Flavobacterium (NCBI:txid237) See: PubMed
ChEBI Ontology
Outgoing 4-(Methylsulfanyl)butan-2-ol (CHEBI:211913) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2R)-4-methylsulanylbutan-2-ol
Manual Xref Database
29331987 ChemSpider
View more database links