MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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sulcatone

	Properties	Image
MNX_ID	MNXM2867
reference	chebi:16310
formula	C₈H₁₄O
global charge	0
mol weight	126.199
InChIKey	UHEPJGULSIKKTP-UHFFFAOYSA-N
InChI	InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
SMILES	CC(=O)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
SMILES (mnx)	[CH3:1][C:7]([CH3:2])=[CH:5][CH2:4][CH2:6][C:8]([CH3:3])=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16310 chebi:16310 UHEPJGULSIKKTP-UHFFFAOYSA-N	sulcatone 6-Methyl-5-hepten-2-one 6-Methylhept-5-en-2-one 6-methyl-5-hepten-2-one 6-methylhept-5-en-2-one Sulcatone
lipidmaps:LMFA12000039 lipidmapsM:LMFA12000039 UHEPJGULSIKKTP-UHFFFAOYSA-N	6-Methyl-5-hepten-2-one 6-Methyl-5-hepten-2-one
hmdb:HMDB0035915 UHEPJGULSIKKTP-UHFFFAOYSA-N	Sulcatone 2-Methyl-2-hepten-6-one 2-Methyl-6-heptenone 2-Methyl-6-oxo-2-heptene 2-Methylhept-2-en-6-one 2-oxo-6-Methylhept-5-ene 6-Methyl hept-5-en-2-one 6-Methyl-5-hepten-2-one 6-Methyl-5-heptene-2-one 6-Methylhept-5-en-2-one 6-Methylhept-5-ene-2-one 6-Methylheptan-5-ene-2-one FEMA 2707 Methylheptenone Prenylacetone
seed.compound:cpd04501 seedM:cpd04501 UHEPJGULSIKKTP-UHFFFAOYSA-N	Sulcatone 6-Methyl-5-hepten-2-one 6-Methylhept-5-en-2-one 6-methyl-5-hepten-2-one 6-methylhept-5-en-2-one 6-methylheptan-5-ene-2-one MHO Methylheptenone methylheptenone sulcatone
kegg.compound:C07287 keggC:C07287 UHEPJGULSIKKTP-UHFFFAOYSA-N	Sulcatone 6-Methyl-5-hepten-2-one 6-Methylhept-5-en-2-one Methylheptenone
SLM:000597967 slm:000597967 UHEPJGULSIKKTP-UHFFFAOYSA-N	sulcatone
metacyc.compound:CPD-7969 metacycM:CPD-7969 UHEPJGULSIKKTP-UHFFFAOYSA-N	sulcatone 6-methyl-5-hepten-2-one 6-methylhept-5-en-2-one 6-methylheptan-5-ene-2-one MHO methylheptenone
hmdb:HMDB35915 chebi:15134 chebi:26818 chebi:9324 keggC:M_C07287 seedM:M_cpd04501	secondary/obsolete/fantasy identifier