CHEBI:184396 - 6-Methylheptan-2-one

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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 6-Methylheptan-2-one
ChEBI ID CHEBI:184396
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H16O
Net Charge 0
Average Mass 128.215
Monoisotopic Mass 128.12012
InChI InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey DPLGXGDPPMLJHN-UHFFFAOYSA-N
SMILES O=C(CCCC(C)C)C
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Methylheptan-2-one (CHEBI:184396) is a ketone (CHEBI:17087)
IUPAC Name
6-methylheptan-2-one
Manual Xrefs Databases
12983 ChemSpider
LMFA12000041 LIPID MAPS
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Registry Number Type Source
928-68-7 CAS Registry Number ChemIDplus