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

Feedback

(+)-coniine

	Properties	Image
MNX_ID	MNXM6484
reference	chebi:28322
formula	C₈H₁₇N
global charge	0
mol weight	127.231
InChIKey	NDNUANOUGZGEPO-QMMMGPOBSA-N
InChI	InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
SMILES	CCC[C@H]1CCCCN1

MNX internals

InChI (mnx)	InChI=1/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:5][C@H:8]1[CH2:6][CH2:3][CH2:4][CH2:7][NH:9]1

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:28322 chebi:28322 NDNUANOUGZGEPO-QMMMGPOBSA-N	(+)-coniine (+)-Coniine (2S)-2-propylpiperidine (S)-(+)-coniine (S)-2-propylpiperidine (S)-beta-propylpiperidine Cicutine Coniine
hmdb:HMDB0030285 NDNUANOUGZGEPO-UHFFFAOYSA-N	(S)-2-Propylpiperidine (+)-Coniine (2S)-2-Propylpiperidine (S)-(+)-ConIIne (S)-beta-Propylpiperidine 2-Propyl-piperidine 2-Propylpiperidine 2-propylpiperidine Cicutin Cicutine ConIIn ConIIne Conicine Coniine hydrobromide, (S)-isomer Coniine hydrochloride, (+-)-isomer Coniine hydrochloride, (S)-isomer Coniine, (+-)-isomer Coniine, (S)-isomer Conine D-Conicine Koniin alpha-Conine
CHEBI:229941 chebi:229941 NDNUANOUGZGEPO-UHFFFAOYSA-N	2-propylpiperidine
kegg.compound:C06523 keggC:C06523 NDNUANOUGZGEPO-QMMMGPOBSA-N	Coniine (+)-Coniine Cicutin
seed.compound:cpd03933 seedM:cpd03933 NDNUANOUGZGEPO-QMMMGPOBSA-O	Coniine (+)-Coniine Cicutin cicutin cicutine coniine d-Conicine
metacyc.compound:CPD-9425 metacycM:CPD-9425 NDNUANOUGZGEPO-UHFFFAOYSA-O	coniine cicutin cicutine d-Conicine
hmdb:HMDB30285 chebi:23373 chebi:3860 keggC:M_C06523 seedM:M_cpd03933	secondary/obsolete/fantasy identifier