CHEBI:179845 - (+/-)-3-(Methylthio)heptanal

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 (+/-)-3-(Methylthio)heptanal
ChEBI ID CHEBI:179845
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H16OS
Net Charge 0
Average Mass 160.280
Monoisotopic Mass 160.09219
InChI InChI=1S/C8H16OS/c1-3-4-5-8(10-2)6-7-9/h7-8H,3-6H2,1-2H3
InChIKey RQOSXGWCILNIKB-UHFFFAOYSA-N
SMILES S(C(CCCC)CC=O)C
ChEBI Ontology
Outgoing (+/-)-3-(Methylthio)heptanal (CHEBI:179845) is a aldehyde (CHEBI:17478)
IUPAC Name
3-methylsulanylheptanal
Manual Xrefs Databases
21105965 ChemSpider
HMDB0032426 HMDB
View more database links
Registry Number Type Source
51755-70-5 CAS Registry Number ChemIDplus