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

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hexanal

	Properties	Image
MNX_ID	MNXM8718
reference	chebi:88528
formula	C₆H₁₂O
global charge	0
mol weight	100.161
InChIKey	JARKCYVAAOWBJS-UHFFFAOYSA-N
InChI	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
SMILES	CCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	27
in models (compartimentalized)	13

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88528 chebi:88528 JARKCYVAAOWBJS-UHFFFAOYSA-N	hexanal 1-Hexanal Aldehyde C-6 C6 aldehyde Caproaldehyde Caproic aldehyde Hexaldehyde Hexan-1-al Hexanaldehyde Hexoic aldehyde Hexylaldehyde N-Caproaldehyde N-Hexanal N-Hexylaldehyde n-C5H11CHO n-Caproic aldehyde
metacyc.compound:HEXANAL metacycM:HEXANAL JARKCYVAAOWBJS-UHFFFAOYSA-N	1-hexanal hexaldehyde
lipidmaps:LMFA06000109 lipidmapsM:LMFA06000109 JARKCYVAAOWBJS-UHFFFAOYSA-N	Caproaldehyde Caproic aldehyde FAL 6:0 hexanal
bigg.metabolite:hxal biggM:hxal sabiork.compound:20847 sabiorkM:20847 JARKCYVAAOWBJS-UHFFFAOYSA-N	Hexanal
hmdb:HMDB0005994 JARKCYVAAOWBJS-UHFFFAOYSA-N	Hexanal 1-Hexanal Aldehyde C-6 C6 Aldehyde Caproaldehyde Caproic aldehyde Capronaldehyde Hexaldehyde Hexan-1-al Hexanaldehyde Hexoic aldehyde Hexylaldehyde N-C5H11CHO N-Caproaldehyde N-Caproic aldehyde N-Hexanal N-Hexylaldehyde hexanal n-Capronaldehyde
envipath:...d9abec333f51 envipathM:...d9abec333f51 JARKCYVAAOWBJS-UHFFFAOYSA-N	compound 0044289
SLM:000597645 slm:000597645 JARKCYVAAOWBJS-UHFFFAOYSA-N	hexanal
seed.compound:cpd15611 seedM:cpd15611 JARKCYVAAOWBJS-UHFFFAOYSA-N	hexanal 1-hexanal hexaldehyde hxal
vmhM:hxal vmhmetabolite:hxal JARKCYVAAOWBJS-UHFFFAOYSA-N	hexanal hexanal
hmdb:HMDB05994 biggM:M_hxal seedM:M_cpd15611 vmhM:M_hxal	secondary/obsolete/fantasy identifier