CHEBI:185027 - 3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one

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ChEBI Name 3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
ChEBI ID CHEBI:185027
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O2
Net Charge 0
Average Mass 140.182
Monoisotopic Mass 140.08373
InChI InChI=1S/C8H12O2/c1-3-6-5(2)4-7(9)8(6)10/h5,10H,3-4H2,1-2H3
InChIKey RSVAFMGHIDKYKB-UHFFFAOYSA-N
SMILES OC1=C(C(CC1=O)C)CC
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one (CHEBI:185027) is a cyclic ketone (CHEBI:3992)
IUPAC Name
3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
Manual Xrefs Databases
460789 ChemSpider
HMDB0036176 HMDB
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Registry Number Type Source
42348-12-9 CAS Registry Number ChemIDplus