CHEBI:173444 - 2-Mercapto-3-pentanone

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 2-Mercapto-3-pentanone
ChEBI ID CHEBI:173444
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H10OS
Net Charge 0
Average Mass 118.190
Monoisotopic Mass 118.04524
InChI InChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3
InChIKey TWOGJUHCCNLYPC-UHFFFAOYSA-N
SMILES SC(C(=O)CC)C
ChEBI Ontology
Outgoing 2-Mercapto-3-pentanone (CHEBI:173444) is a ketone (CHEBI:17087)
IUPAC Name
2-sulanylpentan-3-one
Manual Xrefs Databases
461501 ChemSpider
HMDB0035171 HMDB
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