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

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heptanal

	Properties	Image
MNX_ID	MNXM8711
reference	chebi:34787
formula	C₇H₁₄O
global charge	0
mol weight	114.188
InChIKey	FXHGMKSSBGDXIY-UHFFFAOYSA-N
InChI	InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
SMILES	CCCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34787 chebi:34787 FXHGMKSSBGDXIY-UHFFFAOYSA-N	heptanal aldehyde C-7 enanthal enanthaldehyde enanthic aldehyde heptaldehyde heptanaldehyde heptyl aldehyde heptylaldehyde n-C6H13CHO n-Heptaldehyde n-heptaldehyde n-heptanal n-heptylaldehyde oenanthal oenanthaldehyde oenanthic aldehyde oenanthol
metacyc.compound:CPD-7620 metacycM:CPD-7620 FXHGMKSSBGDXIY-UHFFFAOYSA-N	1-heptanal enanthal heptaldehyde
lipidmaps:LMFA06000001 lipidmapsM:LMFA06000001 FXHGMKSSBGDXIY-UHFFFAOYSA-N	Enanthaldehyde FAL 7:0 heptanal
bigg.metabolite:hpal biggM:hpal SLM:000389952 slm:000389952 FXHGMKSSBGDXIY-UHFFFAOYSA-N	Heptanal
hmdb:HMDB0031475 FXHGMKSSBGDXIY-UHFFFAOYSA-N	Heptanal 1-Heptaldehyde 1-Heptanal Aldehyde C-7 Aldehyde C7 Enanthal Enanthaldehyde Enanthic aldehyde Enanthole FEMA 2540 Heptaldehyde Heptan-1-al Heptanaldehyde Heptyl aldehyde Heptylaldehyde N-C6H13CHO N-Heptaldehyde N-Heptanal N-Heptylaldehyde Oenanthal Oenanthaldehyde Oenanthic aldehyde Oenanthol Oenanthole heptanal
seed.compound:cpd10089 seedM:cpd10089 FXHGMKSSBGDXIY-UHFFFAOYSA-N	Heptanal 1-heptanal enanthal heptaldehyde heptanal hpal n-Heptaldehyde
sabiork.compound:20961 sabiorkM:20961 kegg.compound:C14390 keggC:C14390 FXHGMKSSBGDXIY-UHFFFAOYSA-N	Heptanal n-Heptaldehyde
envipath:...b9867d077c43 envipathM:...b9867d077c43 FXHGMKSSBGDXIY-UHFFFAOYSA-N	compound 0044338
hmdb:HMDB31475 biggM:M_hpal keggC:M_C14390 seedM:M_cpd10089	secondary/obsolete/fantasy identifier