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

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dodecanedioate

	Properties	Image
MNX_ID	MNXM51465
reference	chebi:76273
formula	C₁₂H₂₀O₄
global charge	-2
mol weight	228.288
InChIKey	TVIDDXQYHWJXFK-UHFFFAOYSA-L
InChI	InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)/p-2
SMILES	O=C([O-])CCCCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][C:12](=[O:15])[OH:16])[CH2:3][CH2:5][CH2:7][CH2:9][C:11](=[O:13])[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76273 chebi:76273 TVIDDXQYHWJXFK-UHFFFAOYSA-L	dodecanedioate C12-DCA(2-) dodecanedioate(2-)
SLM:000000717 slm:000000717 TVIDDXQYHWJXFK-UHFFFAOYSA-L	Dodecanedioate
bigg.metabolite:dodecanac biggM:dodecanac TVIDDXQYHWJXFK-UHFFFAOYSA-L	Dodecanedioic Acid
kegg.compound:C02678 keggC:C02678 TVIDDXQYHWJXFK-UHFFFAOYSA-N	Dodecanedioic acid
hmdb:HMDB0000623 TVIDDXQYHWJXFK-UHFFFAOYSA-N	Dodecanedioic acid 1,10-Decanedicarboxylate 1,10-Decanedicarboxylic acid 1,10-Dicarboxydecane 1,12-Dodecanedioate 1,12-Dodecanedioic acid Corfree m 2 Decamethylenedicarboxylate Decamethylenedicarboxylic acid Dodecandioic acid Dodecanedioate Dodecanedioic acid, sodium salt N-Dodecane-a,W-dioate N-Dodecane-a,W-dioic acid N-Dodecanedioate N-Dodecanedioic acid SL-AH dodecanedioic acid
seed.compound:cpd01740 seedM:cpd01740 TVIDDXQYHWJXFK-UHFFFAOYSA-L	Dodecanedioic acid 1,10-Decanedicarboxylic acid 1,10-Dicarboxydecane 1,12-Dodecanedioic acid decamethylenedicarboxylic acid dodecanedioate dodecanedioic acid
lipidmaps:LMFA01170009 lipidmapsM:LMFA01170009 TVIDDXQYHWJXFK-UHFFFAOYSA-N	Dodecanedioic acid Dodecanedioic acid FA 12:1 O2
vmhM:dodecanac vmhmetabolite:dodecanac TVIDDXQYHWJXFK-UHFFFAOYSA-L	Dodecanedioic acid dodecanedioic acid
metacyc.compound:CPD-10670 metacycM:CPD-10670 TVIDDXQYHWJXFK-UHFFFAOYSA-L	dodecanedioate 1,10-Decanedicarboxylic acid 1,10-Dicarboxydecane 1,12-Dodecanedioic acid decamethylenedicarboxylic acid dodecanedioic acid
CHEBI:4676 chebi:4676 TVIDDXQYHWJXFK-UHFFFAOYSA-N	dodecanedioic acid 1,10-decanedicarboxylic acid 1,10-dicarboxydecane 1,12-dodecanedioic acid Dodecanedioic acid decamethylenedicarboxylic acid
hmdb:HMDB00623 biggM:M_dodecanac keggC:M_C02678 seedM:M_cpd01740 vmhM:M_dodecanac	secondary/obsolete/fantasy identifier