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

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Arecaidine

	Properties	Image
MNX_ID	MNXM42541
reference	chebi:2813
formula	C₇H₁₁NO₂
global charge	0
mol weight	141.17
InChIKey	DNJFTXKSFAMXQF-UHFFFAOYSA-N
InChI	InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
SMILES	CN1CCC=C(C(=O)O)C1

MNX internals

InChI (mnx)	InChI=1/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
SMILES (mnx)	[CH3:1][N:8]1[CH2:4][CH2:2][CH:3]=[C:6]([C:7](=[O:9])[OH:10])[CH2:5]1

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
seed.compound:cpd07017 seedM:cpd07017 CHEBI:2813 chebi:2813 kegg.compound:C10128 keggC:C10128 DNJFTXKSFAMXQF-UHFFFAOYSA-N	Arecaidine
hmdb:HMDB0030352 DNJFTXKSFAMXQF-UHFFFAOYSA-N	Arecaidine 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid 1,2,5,6-Tetrahydro-1-methyl-nicotinic acid 1,2,5,6-Tetrahydro-1-methylnicotinic acid 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid Arecaine Isoguvacine Methylguvacine N-Methylguvacine arecaidine
hmdb:HMDB30352 keggC:M_C10128 seedM:M_cpd07017	secondary/obsolete/fantasy identifier