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

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decanal

	Properties	Image
MNX_ID	MNXM7260
reference	chebi:31457
formula	C₁₀H₂₀O
global charge	0
mol weight	156.269
InChIKey	KSMVZQYAVGTKIV-UHFFFAOYSA-N
InChI	InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
SMILES	CCCCCCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	83
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31457 chebi:31457 KSMVZQYAVGTKIV-UHFFFAOYSA-N	decanal 1-Decanal 1-decyl aldehyde Decanal capraldehyde caprinaldehyde decanaldehyde n-decaldehyde n-decanal n-decyl aldehyde
lipidmaps:LMFA06000052 lipidmapsM:LMFA06000052 KSMVZQYAVGTKIV-UHFFFAOYSA-N	Capraldehyde Caprinaldehyde FAL 10:0 decanal
bigg.metabolite:dcal biggM:dcal SLM:000389950 slm:000389950 KSMVZQYAVGTKIV-UHFFFAOYSA-N	Decanal
sabiork.compound:14340 sabiorkM:14340 kegg.compound:C12307 keggC:C12307 KSMVZQYAVGTKIV-UHFFFAOYSA-N	Decanal 1-Decanal
hmdb:HMDB0011623 KSMVZQYAVGTKIV-UHFFFAOYSA-N	Decanal 1-Decanal 1-Decanal(mixed isomers) 1-Decyl aldehyde Aldehyde C10 C-10 Aldehyde Capraldehyde Capric aldehyde Caprinaldehyde Caprinic aldehyde Decaldehyde Decanal (acd/name 4.0) Decanaldehyde Decyl aldehyde Decylic aldehyde N-Decaldehyde N-Decanal N-Decanal (capric aldehyde) N-Decyl aldehyde decanal
seed.compound:cpd09079 seedM:cpd09079 KSMVZQYAVGTKIV-UHFFFAOYSA-N	Decanal 1-Decanal 1-decanal Capric aldehyde capraldehyde dcal decanal n-decanal n-decyl aldehyde
envipath:...37eec6feea42 envipathM:...37eec6feea42 KSMVZQYAVGTKIV-UHFFFAOYSA-N	compound 0046257
metacyc.compound:CPD-8490 metacycM:CPD-8490 KSMVZQYAVGTKIV-UHFFFAOYSA-N	decanal 1-decanal Capric aldehyde capraldehyde n-decanal n-decyl aldehyde
hmdb:HMDB11623 biggM:M_dcal keggC:M_C12307 seedM:M_cpd09079	secondary/obsolete/fantasy identifier