CHEBI:169200 - Hexyl 3-mercaptobutanoate

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 Hexyl 3-mercaptobutanoate
ChEBI ID CHEBI:169200
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H20O2S
Net Charge 0
Average Mass 204.330
Monoisotopic Mass 204.11840
InChI InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3
InChIKey HDYQKQAKXIPCAP-UHFFFAOYSA-N
SMILES SC(CC(OCCCCCC)=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Hexyl 3-mercaptobutanoate (CHEBI:169200) is a fatty acid ester (CHEBI:35748)
IUPAC Name
hexyl 3-sulanylbutanoate
Manual Xrefs Databases
8140000 ChemSpider
HMDB0032327 HMDB
LMFA07010907 LIPID MAPS
View more database links
Registry Number Type Source
796857-79-9 CAS Registry Number ChemIDplus