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

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1,8-diazacyclotetradecane-2,9-dione

	Properties	Image
MNX_ID	MNXM4223
reference	chebi:16968
formula	C₁₂H₂₂N₂O₂
global charge	0
mol weight	226.32
InChIKey	HERSSAVMHCMYSQ-UHFFFAOYSA-N
InChI	InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
SMILES	O=C1CCCCCNC(=O)CCCCCN1

MNX internals

InChI (mnx)	InChI=1/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
SMILES (mnx)	[CH2:1]1[CH2:3][CH2:7][C:11]([OH:15])=[N:14][CH2:10][CH2:6][CH2:2][CH2:4][CH2:8][C:12]([OH:16])=[N:13][CH2:9][CH2:5]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16968 chebi:16968 HERSSAVMHCMYSQ-UHFFFAOYSA-N	1,8-diazacyclotetradecane-2,9-dione 1,8-Diazacyclotetradecane-2,9-dione
kegg.compound:C04277 keggC:C04277 HERSSAVMHCMYSQ-UHFFFAOYSA-N	1,8-Diazacyclotetradecane-2,9-dione
seed.compound:cpd02623 seedM:cpd02623 HERSSAVMHCMYSQ-UHFFFAOYSA-N	1,8-Diazacyclotetradecane-2,9-dione 1,8-diazacyclotetradecane-2,9-dione 6-aminohexanoate cyclic dimer Acd
envipath:...57ee6ce757ea envipathM:...57ee6ce757ea HERSSAVMHCMYSQ-UHFFFAOYSA-N	6-Aminohexanoate Cyclic Dimer
metacyc.compound:CPD-3921 metacycM:CPD-3921 HERSSAVMHCMYSQ-UHFFFAOYSA-N	6-aminohexanoate cyclic dimer 1,8-diazacyclotetradecane-2,9-dione Acd
envipath:...96a33080fe57 envipathM:...96a33080fe57 HERSSAVMHCMYSQ-UHFFFAOYSA-N	compound 0049551
chebi:11183 chebi:18957 chebi:562 keggC:M_C04277 seedM:M_cpd02623	secondary/obsolete/fantasy identifier