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

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betaine aldehyde

	Properties	Image
MNX_ID	MNXM457
reference	chebi:15710
formula	C₅H₁₂NO
global charge	1
mol weight	102.157
InChIKey	SXKNCCSPZDCRFD-UHFFFAOYSA-N
InChI	InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
SMILES	C[N+](C)(C)CC=O

MNX internals

InChI (mnx)	InChI=1/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
SMILES (mnx)	[CH3:1][N+:6]([CH3:2])([CH3:3])[CH2:4][CH:5]=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-6798194 reactomeM:R-ALL-6798194 CHEBI:15710 chebi:15710 SXKNCCSPZDCRFD-UHFFFAOYSA-N	betaine aldehyde BETAINE ALDEHYDE Betaine aldehyde N,N,N-trimethyl-2-oxoethanaminium glycine betaine aldehyde
bigg.metabolite:betald biggM:betald sabiork.compound:5144 sabiorkM:5144 kegg.compound:C00576 keggC:C00576 SXKNCCSPZDCRFD-UHFFFAOYSA-N	Betaine aldehyde
hmdb:HMDB0001252 SXKNCCSPZDCRFD-UHFFFAOYSA-N	Betaine aldehyde (Formylmethyl)trimethyl-ammonium (Formylmethyl)trimethylammonium BTL Glycine betaine aldehyde N,N,N-Trimethyl-2-oxo ethanaminium N,N,N-Trimethyl-2-oxo-ethanaminium N,N,N-Trimethyl-2-oxoethanaminium Trimethyl(formylmethyl)ammonium betaine aldehyde trimethyl(2-oxoethyl)azanium
seed.compound:cpd00447 seedM:cpd00447 SXKNCCSPZDCRFD-UHFFFAOYSA-N	Betaine aldehyde N,N,N-trimethyl-2-oxoethylammonium betaine aldehyde betald glycine betaine aldehyde
metacyc.compound:BETAINE_ALDEHYDE metacycM:BETAINE_ALDEHYDE SXKNCCSPZDCRFD-UHFFFAOYSA-N	betaine aldehyde N,N,N-trimethyl-2-oxoethylammonium glycine betaine aldehyde
vmhM:betald vmhmetabolite:betald SXKNCCSPZDCRFD-UHFFFAOYSA-N	betaine aldehyde trimethyl(2-oxoethyl)azanium
envipath:...b54b71a11874 envipathM:...b54b71a11874 SXKNCCSPZDCRFD-UHFFFAOYSA-N	compound 0072248
hmdb:HMDB01252 chebi:13896 chebi:22859 chebi:3074 chebi:41256 biggM:M_betald keggC:M_C00576 seedM:M_cpd00447 vmhM:M_betald	secondary/obsolete/fantasy identifier