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

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N-(6-aminohexanoyl)-6-aminohexanoate

	Properties	Image
MNX_ID	MNXM2137
reference	chebi:58798
formula	C₁₂H₂₄N₂O₃
global charge	0
mol weight	244.335
InChIKey	IWENLYKHSZCPRD-UHFFFAOYSA-N
InChI	InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
SMILES	[NH3+]CCCCCC(=O)NCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
SMILES (mnx)	[CH2:1]([CH2:3][CH2:7][C:11](=[N:14][CH2:10][CH2:6][CH2:2][CH2:4][CH2:8][C:12](=[O:16])[OH:17])[OH:15])[CH2:5][CH2:9][NH2:13]

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:58798 chebi:58798 IWENLYKHSZCPRD-UHFFFAOYSA-N	N-(6-aminohexanoyl)-6-aminohexanoate 6-(6-azaniumylhexanamido)hexanoate 6-[(6-ammoniohexanoyl)amino]hexanoate 6-[(6-azaniumylhexanoyl)amino]hexanoate N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion N-(6-azaniumylhexanamido)hexanoate
envipath:...56e524b0022e envipathM:...56e524b0022e IWENLYKHSZCPRD-UHFFFAOYSA-M	6-Aminohexanoate Linear Dimer
metacyc.compound:N-6-AMINOHEXANOYL-6-AMINOHEXANOATE metacycM:N-6-AMINOHEXANOYL-6-AMINOHEXANOATE IWENLYKHSZCPRD-UHFFFAOYSA-N	6-aminohexanoate linear dimer N-(6-aminohexanoyl)-6-aminohexanoate
bigg.metabolite:6ax6ax biggM:6ax6ax kegg.compound:C01255 keggC:C01255 vmhM:6amh6ahnt vmhmetabolite:6amh6ahnt IWENLYKHSZCPRD-UHFFFAOYSA-M IWENLYKHSZCPRD-UHFFFAOYSA-N	N-(6-Aminohexanoyl)-6-aminohexanoate
seed.compound:cpd00921 seedM:cpd00921 IWENLYKHSZCPRD-UHFFFAOYSA-N	N-(6-Aminohexanoyl)-6-aminohexanoate 6-aminohexanoate linear dimer 6ax6ax N-(6-aminohexanoyl)-6-aminohexanoate
CHEBI:16780 chebi:16780 IWENLYKHSZCPRD-UHFFFAOYSA-M	N-(6-aminohexanoyl)-6-aminohexanoate 6-(6-aminohexanamido)hexanoate 6-[(6-aminohexanoyl)amino]hexanoate N-(6-Aminohexanoyl)-6-aminohexanoate
CHEBI:49255 chebi:49255 lipidmaps:LMFA00000009 lipidmapsM:LMFA00000009 IWENLYKHSZCPRD-UHFFFAOYSA-N	N-(6-aminohexanoyl)-6-aminohexanoic acid 6-(6-aminohexanamido)hexanoic acid
envipath:...4acb30dc75a1 envipathM:...4acb30dc75a1 IWENLYKHSZCPRD-UHFFFAOYSA-M	compound 0049554
chebi:12433 chebi:21473 chebi:7092 biggM:M_6ax6ax keggC:M_C01255 seedM:M_cpd00921 vmhM:M_6amh6ahnt	secondary/obsolete/fantasy identifier