CHEBI:230605 - (s)-3-methylthiohexyl hexanoate

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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 (s)-3-methylthiohexyl hexanoate
ChEBI ID CHEBI:230605
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H26O2S
Net Charge 0
Average Mass 246.410
Monoisotopic Mass 246.16535
InChI InChI=1S/C13H26O2S/c1-4-6-7-9-13(14)15-11-10-12(16-3)8-5-2/h12H,4-11H2,1-3H3
InChIKey YCHLQQVZMIQEAC-UHFFFAOYSA-N
SMILES S(C(CCC)CCOC(=O)CCCCC)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing (s)-3-methylthiohexyl hexanoate (CHEBI:230605) is a organic molecular entity (CHEBI:50860)
IUPAC Name
3-methylsulanylhexyl hexanoate
Manual Xrefs Databases
473219 ChemSpider
HMDB0038947 HMDB
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