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

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2-undecanone

	Properties	Image
MNX_ID	MNXM4865
reference	chebi:17700
formula	C₁₁H₂₂O
global charge	0
mol weight	170.296
InChIKey	KYWIYKKSMDLRDC-UHFFFAOYSA-N
InChI	InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
SMILES	CCCCCCCCCC(C)=O

MNX internals

InChI (mnx)	InChI=1/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]([CH3:2])=[O:12]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17700 chebi:17700 KYWIYKKSMDLRDC-UHFFFAOYSA-N	2-undecanone 2-Hendecanone 2-Undecanone 2-hendecanone Methyl nonyl ketone Undecan-2-one rue ketone undecan-2-one
hmdb:HMDB0033713 KYWIYKKSMDLRDC-UHFFFAOYSA-N	2-Undecanone 2-Hendecanone 2-Oxoundecane BioUD Enodyl FEMA 3093 Ketone, methyl nonyl Luparone MGK Dog AMP MNK Methyl N-nonyl ketone Methyl nonyl ketone Methyl-N-nonylketone Methylnonylketone Nonyl methyl ketone Rue ketone Undecan-2-one Undecanone Undecanone-(2) undecan-2-one
seed.compound:cpd01290 seedM:cpd01290 KYWIYKKSMDLRDC-UHFFFAOYSA-N	2-Undecanone 2-Hendecanone 2-undecanone Methyl nonyl ketone Undecan-2-one
kegg.compound:C01875 keggC:C01875 KYWIYKKSMDLRDC-UHFFFAOYSA-N	2-Undecanone 2-Hendecanone Methyl nonyl ketone Undecan-2-one
metacyc.compound:2-UNDECANONE metacycM:2-UNDECANONE KYWIYKKSMDLRDC-UHFFFAOYSA-N	2-undecanone
lipidmaps:LMFA12000002 lipidmapsM:LMFA12000002 KYWIYKKSMDLRDC-UHFFFAOYSA-N	undecan-2-one undecan-2-one
hmdb:HMDB33713 chebi:11658 chebi:1280 chebi:19792 keggC:M_C01875 seedM:M_cpd01290	secondary/obsolete/fantasy identifier