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

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vanillylamine

	Properties	Image
MNX_ID	MNXM6475
reference	chebi:149596
formula	C₈H₁₂NO₂
global charge	1
mol weight	154.189
InChIKey	WRPWWVNUCXQDQV-UHFFFAOYSA-O
InChI	InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3/p+1
SMILES	COC1=C(O)C=CC(C[NH3+])=C1

MNX internals

InChI (mnx)	InChI=1/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3
SMILES (mnx)	[CH3:1][O:11][C:8]1=[C:7]([OH:10])[CH:3]=[CH:2][C:6]([CH2:5][NH2:9])=[CH:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:149596 chebi:149596 WRPWWVNUCXQDQV-UHFFFAOYSA-O	vanillylamine (4-hydroxy-3-methoxyphenyl)methanaminium vanillylamine(1+)
kegg.compound:C16666 keggC:C16666 WRPWWVNUCXQDQV-UHFFFAOYSA-N	Vanillylamine
hmdb:HMDB0012309 WRPWWVNUCXQDQV-UHFFFAOYSA-N	Vanillylamine (3-Methoxy-4-hydroxyphenyl)methylamine (4-Hydroxy-3-methoxyphenyl)methanamine 3-Methoxy-4-hydroxybenzylamine 4-(aminomethyl)-2-methoxyphenol 4-Aminomethyl-2-methoxy-phenol 4-Hydroxy-3-methoxybenzylamine Vanillylamine hydrochloride a-amino-2-Methoxy-P-cresol alpha-amino-2-Methoxy-P-cresol vanillylamine
seed.compound:cpd16467 seedM:cpd16467 WRPWWVNUCXQDQV-UHFFFAOYSA-O	Vanillylamine capsaicin precursor vanillylamine
CHEBI:46958 chebi:46958 WRPWWVNUCXQDQV-UHFFFAOYSA-N	vanillylamine 4-(aminomethyl)-2-methoxyphenol 4-hydroxy-3-methoxybenzylamine
metacyc.compound:CPD-9327 metacycM:CPD-9327 WRPWWVNUCXQDQV-UHFFFAOYSA-O	vanillylamine capsaicin precursor
hmdb:HMDB12309 keggC:M_C16666 seedM:M_cpd16467	secondary/obsolete/fantasy identifier