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

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octanal

	Properties	Image
MNX_ID	MNXM2705
reference	chebi:17935
formula	C₈H₁₆O
global charge	0
mol weight	128.215
InChIKey	NUJGJRNETVAIRJ-UHFFFAOYSA-N
InChI	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
SMILES	CCCCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17935 chebi:17935 NUJGJRNETVAIRJ-UHFFFAOYSA-N	octanal 1-Caprylaldehyde 1-Octaldehyde 1-Octanal 1-Octylaldehyde C-8 aldehyde Caprylaldehyd Kaprylaldehyd Octylaldehyd Oktanal Oktylaldehyd aldehyde C-8 caprylaldehyde caprylic aldehyde n-caprylaldehyde n-octaldehyde n-octanal n-octyl aldehyde n-octylal octan-1-al octanaldehyde octanoic aldehyde octylaldehyde
envipath:...68b4f5453145 envipathM:...68b4f5453145 NUJGJRNETVAIRJ-UHFFFAOYSA-N	1-Octanal
seed.compound:cpd01088 seedM:cpd01088 NUJGJRNETVAIRJ-UHFFFAOYSA-N	1-Octanal 1-Caprylaldehyde 1-Octaldehyde 1-Octylaldehyde 1-caprylaldehyde 1-octaldehyde 1-octanal 1-octylaldehyde CPD-371 n-octanal octanal
sabiork.compound:5652 sabiorkM:5652 NUJGJRNETVAIRJ-UHFFFAOYSA-N	1-Octanal 1-Caprylaldehyde 1-Octaldehyde 1-Octylaldehyde Octanal
metacyc.compound:CPD-371 metacycM:CPD-371 NUJGJRNETVAIRJ-UHFFFAOYSA-N	1-octanal 1-caprylaldehyde 1-octaldehyde 1-octylaldehyde n-octanal
lipidmaps:LMFA06000028 lipidmapsM:LMFA06000028 NUJGJRNETVAIRJ-UHFFFAOYSA-N	Caprylaldehyde Caprylic aldehyde FAL 8:0 octanal
bigg.metabolite:octal biggM:octal SLM:000389951 slm:000389951 NUJGJRNETVAIRJ-UHFFFAOYSA-N	Octanal
kegg.compound:C01545 keggC:C01545 NUJGJRNETVAIRJ-UHFFFAOYSA-N	Octanal 1-Caprylaldehyde 1-Octaldehyde 1-Octanal 1-Octylaldehyde
hmdb:HMDB0001140 NUJGJRNETVAIRJ-UHFFFAOYSA-N	Octanal 1-Caprylaldehyde 1-Octaldehyde 1-Octanal 1-Octylaldehyde Aldehyde C-8 Aldehyde C8 Antifoam-LF C-8 Aldehyde Caprylaldehyd Caprylaldehyde Caprylic aldehyde Kaprylaldehyd N-Caprylaldehyde N-Octaldehyde N-Octanal N-Octyl aldehyde N-Octylal Octaldehyde Octan-1-al Octanaldehyde Octanoic aldehyde Octylaldehyd Octylaldehyde Oktanal Oktylaldehyd octanal
envipath:...1a8f8728f537 envipathM:...1a8f8728f537 NUJGJRNETVAIRJ-UHFFFAOYSA-N	compound 0039155
seed.compound:cpd15619 seedM:cpd15619	octanal octal
hmdb:HMDB01140 chebi:11268 chebi:25641 chebi:659 biggM:M_octal keggC:M_C01545 seedM:M_cpd01088 seedM:M_cpd15619	secondary/obsolete/fantasy identifier