CHEBI:188423 - 5-Isopropylbicyclo[3.1.0]hexan-2-one

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 5-Isopropylbicyclo[3.1.0]hexan-2-one
ChEBI ID CHEBI:188423
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H14O
Net Charge 0
Average Mass 138.210
Monoisotopic Mass 138.10447
InChI InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3
InChIKey MDDYCNAAAZKNAJ-UHFFFAOYSA-N
SMILES O=C1C2C(C2)(CC1)C(C)C
Metabolite of Species Details
Mus musculus (NCBITAXON:10090) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 5-Isopropylbicyclo[3.1.0]hexan-2-one (CHEBI:188423) is a ketone (CHEBI:17087)
IUPAC Name
5-propan-2-ylbicyclo[3.1.0]hexan-2-one
Manual Xrefs Databases
83758 ChemSpider
HMDB0035229 HMDB
View more database links
Registry Number Type Source
513-20-2 CAS Registry Number ChemIDplus