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

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N,N-dimethyl-beta-alanine

	Properties	Image
MNX_ID	MNXM12331
reference	chebi:138668
formula	C₅H₁₁NO₂
global charge	0
mol weight	117.148
InChIKey	JMOXSQYGVIXBBZ-UHFFFAOYSA-N
InChI	InChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
SMILES	CN(C)CCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
SMILES (mnx)	[CH3:1][N:6]([CH3:2])[CH2:4][CH2:3][C:5](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138668 chebi:138668 JMOXSQYGVIXBBZ-UHFFFAOYSA-N	N,N-dimethyl-beta-alanine 3-(N,N-dimethylamino)propanoic acid 3-(N,N-dimethylamino)propionic acid 3-(dimethylamino)propanoic acid 3-(dimethylamino)propionic acid 3-dimethylaminopropanoic acid 3-dimethylaminopropionic acid
metacyc.compound:CPD-6142 metacycM:CPD-6142 seed.compound:cpd24615 seedM:cpd24615 JMOXSQYGVIXBBZ-UHFFFAOYSA-N	N,N-dimethyl-beta-alanine
envipath:...04ee252678cd envipathM:...04ee252678cd JMOXSQYGVIXBBZ-UHFFFAOYSA-M	compound 0063403
seedM:M_cpd24615	secondary/obsolete/fantasy identifier