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

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Neurine

	Properties	Image
MNX_ID	MNXM1127746
reference	chebi:165174
formula	C₅H₁₃NO
global charge	0
mol weight	103.165
InChIKey	NIPLIJLVGZCKMP-UHFFFAOYSA-M
InChI	InChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1
SMILES	C=C[N+](C)(C)C.[OH-]

MNX internals

InChI (mnx)	InChI=1/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;
SMILES (mnx)	[CH2:1]=[CH:5][N+:6]([CH3:2])([CH3:3])[CH3:4].[OH2:7]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:165174 chebi:165174 NIPLIJLVGZCKMP-UHFFFAOYSA-M	Neurine ethenyl(trimethyl)azanium;hydroxide