CHEBI:195851 - 2-Methyl-3-heptanone

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-Methyl-3-heptanone
ChEBI ID CHEBI:195851
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/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey XYYMFUCZDNNGFS-UHFFFAOYSA-N
SMILES O=C(CCCC)C(C)C
ChEBI Ontology
Outgoing 2-Methyl-3-heptanone (CHEBI:195851) is a ketone (CHEBI:17087)
IUPAC Name
2-methylheptan-3-one
Manual Xrefs Databases
23876 ChemSpider
D91376 KEGG DRUG
HMDB0032402 HMDB
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