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

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octylamine

	Properties	Image
MNX_ID	MNXM65381
reference	chebi:195453
formula	C₈H₂₀N
global charge	1
mol weight	130.255
InChIKey	IOQPZZOEVPZRBK-UHFFFAOYSA-O
InChI	InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3/p+1
SMILES	CCCCCCCC[NH3+]

MNX internals

InChI (mnx)	InChI=1/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH2:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:195453 chebi:195453 IOQPZZOEVPZRBK-UHFFFAOYSA-O	octylamine 1-octanaminium n-octylamine(1+) octan-1-aminium octylaminium
hmdb:HMDB0255916 IOQPZZOEVPZRBK-UHFFFAOYSA-N	Octylamine 1-Aminooctane 1-Octanamine Monoctylamine N-Octylamine Octylamine hydrobromide Octylamine hydrochloride octan-1-amine octylamine
seed.compound:cpd01199 seedM:cpd01199 IOQPZZOEVPZRBK-UHFFFAOYSA-O	Octylamine 1-aminooctane 1-octanamine Monoctylamine N-Octylamine N-octylamine octan-1-amine octylamine
kegg.compound:C01740 keggC:C01740 IOQPZZOEVPZRBK-UHFFFAOYSA-N	Octylamine Monoctylamine N-Octylamine
CHEBI:7728 chebi:7728 IOQPZZOEVPZRBK-UHFFFAOYSA-N	octan-1-amine 1-Aminooctane 1-octanamine Monoctylamine N-Octylamine Octylamine
metacyc.compound:CPD-19193 metacycM:CPD-19193 IOQPZZOEVPZRBK-UHFFFAOYSA-O	octan-1-amine 1-aminooctane 1-octanamine N-octylamine octylamine
keggC:M_C01740 seedM:M_cpd01199	secondary/obsolete/fantasy identifier