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

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dodecanal

	Properties	Image
MNX_ID	MNXM11432
reference	chebi:27836
formula	C₁₂H₂₄O
global charge	0
mol weight	184.323
InChIKey	HFJRKMMYBMWEAD-UHFFFAOYSA-N
InChI	InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
SMILES	CCCCCCCCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]=[O:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27836 chebi:27836 HFJRKMMYBMWEAD-UHFFFAOYSA-N	dodecanal Laurylaldehyde dodecanaldehyde dodecyl aldehyde lauraldehyde lauric aldehyde lauryl aldehyde n-dodecanal n-dodecyl aldehyde n-dodecylic aldehyde n-lauraldehyde
bigg.metabolite:ddcal biggM:ddcal envipath:...ba4e20633f0e envipathM:...ba4e20633f0e SLM:000389974 slm:000389974 HFJRKMMYBMWEAD-UHFFFAOYSA-N	Dodecanal
sabiork.compound:2401 sabiorkM:2401 HFJRKMMYBMWEAD-UHFFFAOYSA-N	Dodecanal 1-Dodecanal Dodecyl aldehyde Dodecylaldehyde Lauraldehyde
seed.compound:cpd01535 seedM:cpd01535 HFJRKMMYBMWEAD-UHFFFAOYSA-N	Dodecanal Dodecyl aldehyde Dodecylaldehyde Lauraldehyde ddcal dodecanal lauraldehyde lauric aldehyde lauryl aldehyde laurylaldehyde n-dodecyl aldehyde
kegg.compound:C02278 keggC:C02278 HFJRKMMYBMWEAD-UHFFFAOYSA-N	Dodecylaldehyde 1-Dodecanal Dodecanal Dodecyl aldehyde Lauraldehyde
hmdb:HMDB0033933 HFJRKMMYBMWEAD-UHFFFAOYSA-N	Lauric aldehyde 1-Dodecanal 1-Dodecyl aldehyde Aldehyde C-12, lauric Aldehyde C12 C-12 Aldehyde, lauric C-12 Lauric aldehyde C12 Aldehyde Dodecanal Dodecanaldehyde Dodecyl aldehyde Dodecylaldehyde Duodecylic aldehyde FEMA 2615 Lauraldehyde Lauraldehyde (8ci) Laurinaldehyde Lauryl aldehyde Laurylaldehyde N-Dodecanal N-Dodecyl aldehyde N-Dodecylic aldehyde N-Lauraldehyde dodecanal
lipidmaps:LMFA06000071 lipidmapsM:LMFA06000071 HFJRKMMYBMWEAD-UHFFFAOYSA-N	Laurylaldehyde FAL 12:0 Lauric aldehyde dodecanal
metacyc.compound:CPD-7880 metacycM:CPD-7880 HFJRKMMYBMWEAD-UHFFFAOYSA-N	dodecanal lauraldehyde lauric aldehyde lauryl aldehyde laurylaldehyde n-dodecyl aldehyde
hmdb:HMDB33933 chebi:23873 chebi:4679 chebi:84068 biggM:M_ddcal keggC:M_C02278 seedM:M_cpd01535	secondary/obsolete/fantasy identifier