1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol (CHEBI:180722)

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	1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol

ChEBI ID	CHEBI:180722

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18OS

Net Charge

Average Mass

198.320

Monoisotopic Mass

198.10784

InChI

InChI=1S/C11H18OS/c1-10(9-13-2)8-11(12)6-4-3-5-7-11/h4,6,9,12H,3,5,7-8H2,1-2H3/b10-9+

InChIKey

IFXHKNKBGMLXEH-MDZDMXLPSA-N

SMILES

S(\C=C(\CC1(O)CCCC=C1)/C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133).

ChEBI Ontology
Outgoing	1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol (CHEBI:180722) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

1-[(E)-2-methyl-3-methylsulanylprop-2-enyl]cyclohex-2-en-1-ol