(S)-3-Mercaptohexyl pentanoate (CHEBI:172008)

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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-Mercaptohexyl pentanoate

ChEBI ID	CHEBI:172008

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H22O2S

Net Charge

Average Mass

218.360

Monoisotopic Mass

218.13405

InChI

InChI=1S/C11H22O2S/c1-3-5-7-11(12)13-9-8-10(14)6-4-2/h10,14H,3-9H2,1-2H3

InChIKey

VMHWVDZUYLYJAJ-UHFFFAOYSA-N

SMILES

SC(CCC)CCOC(=O)CCCC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study

ChEBI Ontology
Outgoing	(S)-3-Mercaptohexyl pentanoate (CHEBI:172008) is a fatty acid ester (CHEBI:35748)

IUPAC Name

3-sulanylhexyl pentanoate