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

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thyronamine

	Properties	Image
MNX_ID	MNXM9157
reference	chebi:233334
formula	C₁₄H₁₆NO₂
global charge	1
mol weight	230.287
InChIKey	OVUVNKDANCKDCK-UHFFFAOYSA-O
InChI	InChI=1S/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,16H,9-10,15H2/p+1
SMILES	[NH3+]CCC1=CC=C(OC2=CC=C(O)C=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,16H,9-10,15H2
SMILES (mnx)	[CH:1]1=[CH:5][C:13]([O:17][C:14]2=[CH:8][CH:4]=[C:12]([OH:16])[CH:3]=[CH:7]2)=[CH:6][CH:2]=[C:11]1[CH2:9][CH2:10][NH2:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:233334 chebi:233334 OVUVNKDANCKDCK-UHFFFAOYSA-O	thyronamine T0AM thyronamine(1+)
seed.compound:cpd22936 seedM:cpd22936 OVUVNKDANCKDCK-UHFFFAOYSA-O	T0AM p-(p-(2-aminoethyl)phenoxy)phenol phenol, 4-(4-(2-aminoethyl)phenoxy)- thyronamine
hmdb:HMDB0259061 OVUVNKDANCKDCK-UHFFFAOYSA-N	Thyronamine 4-[4-(2-aminoethyl)phenoxy]phenol HCL OF Thyronamine p-(p-(2-Aminoethyl)phenoxy)phenol thyronamine
metacyc.compound:CPD-11406 metacycM:CPD-11406 OVUVNKDANCKDCK-UHFFFAOYSA-O	thyronamine T0AM p-(p-(2-aminoethyl)phenoxy)phenol phenol, 4-(4-(2-aminoethyl)phenoxy)-
seedM:M_cpd22936	secondary/obsolete/fantasy identifier