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

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betaine aldehyde hydrate

	Properties	Image
MNX_ID	MNXM7131
reference	chebi:15870
formula	C₅H₁₄NO₂
global charge	1
mol weight	120.172
InChIKey	HEHORKLRCFPRON-UHFFFAOYSA-N
InChI	InChI=1S/C5H14NO2/c1-6(2,3)4-5(7)8/h5,7-8H,4H2,1-3H3/q+1
SMILES	C[N+](C)(C)CC(O)O

MNX internals

InChI (mnx)	InChI=1/C5H14NO2/c1-6(2,3)4-5(7)8/h5,7-8H,4H2,1-3H3/q+1
SMILES (mnx)	[CH3:1][N+:6]([CH3:2])([CH3:3])[CH2:4][CH:5]([OH:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15870 chebi:15870 HEHORKLRCFPRON-UHFFFAOYSA-N	betaine aldehyde hydrate 2,2-dihydroxy-N,N,N-trimethylethanaminium glycine betaine aldehyde hydrate
kegg.compound:C07345 keggC:C07345 HEHORKLRCFPRON-UHFFFAOYSA-N	Betaine aldehyde hydrate
seed.compound:cpd04548 seedM:cpd04548 HEHORKLRCFPRON-UHFFFAOYSA-N	Betaine aldehyde hydrate betaine aldehyde hydrate
hmdb:HMDB0304272 HEHORKLRCFPRON-UHFFFAOYSA-N	betaine aldehyde hydrate (2,2-dihydroxyethyl)trimethylazanium Betaine aldehyde hydric acid Glycine betaine aldehyde hydrate Glycine betaine aldehyde hydric acid
metacyc.compound:BETAINE-ALDEHYDE-HYDRATE metacycM:BETAINE-ALDEHYDE-HYDRATE HEHORKLRCFPRON-UHFFFAOYSA-N	betaine aldehyde hydrate 2,2-dihydroxy-N,N,N-trimethylethanaminium choline gem-diol glycine betaine aldehyde hydrate
envipath:...0dfb968f837a envipathM:...0dfb968f837a HEHORKLRCFPRON-UHFFFAOYSA-N	compound 0072249
chebi:13897 chebi:3075 keggC:M_C07345 seedM:M_cpd04548	secondary/obsolete/fantasy identifier