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

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Citrate-Mg

	Properties	Image
MNX_ID	MNXM93259
reference	biggM:Cit_Mg
formula	C₆H₆MgO₇
global charge	0
mol weight	214.412
InChIKey	DIXGJWCZQHXZNR-UHFFFAOYSA-L
InChI	InChI=1S/C6H8O7.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2
SMILES	O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Mg+2]

MNX internals

InChI (mnx)	InChI=1/C6H8O7.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2
SMILES (mnx)	[CH2:1]([C:3](=[O:7])[OH:8])[C:6]([CH2:2][C:4](=[O:9])[OH:10])([C:5](=[O:11])[OH:12])[OH:13].[Mg+2:14]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:Cit_Mg biggM:Cit_Mg DIXGJWCZQHXZNR-UHFFFAOYSA-L	Citrate-Mg
seed.compound:cpd16062 seedM:cpd16062 DIXGJWCZQHXZNR-UHFFFAOYSA-L	Citrate-Mg Cit-Mg
biggM:Cit-Mg biggM:M_Cit_Mg seedM:M_cpd16062	secondary/obsolete/fantasy identifier