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

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EDTA

	Properties	Image
MNX_ID	MNXM155656
reference	chebi:64755
formula	C₁₀H₁₄N₂O₈
global charge	-2
mol weight	290.228
InChIKey	KCXVZYZYPLLWCC-UHFFFAOYSA-L
InChI	InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2
SMILES	O=C([O-])C[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
SMILES (mnx)	[CH2:1]([CH2:2][N:12]([CH2:5][C:9](=[O:17])[OH:18])[CH2:6][C:10](=[O:19])[OH:20])[N:11]([CH2:3][C:7](=[O:13])[OH:14])[CH2:4][C:8](=[O:15])[OH:16]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64755 chebi:64755 KCXVZYZYPLLWCC-UHFFFAOYSA-L	EDTA 2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate 2,2',2'',2'''-(ethane-1,2-diyldiazaniumyl)tetraacetate EDTA(2-)
CHEBI:63131 chebi:63131 KCXVZYZYPLLWCC-UHFFFAOYSA-K	EDTA(3-) 2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate
CHEBI:42191 chebi:42191 KCXVZYZYPLLWCC-UHFFFAOYSA-J	EDTA(4-) (ethane-1,2-diyldinitrilo)tetraacetate (ethylenedinitrilo)tetraacetic acid, ion(4-) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate EDTA tetraanion EDTA, ion(4-) ethylenediamine tetraacetic acid tetraanion ethylenediaminetetraacetate ethylenediaminetetraacetate tetraanion
seed.compound:cpd00240 seedM:cpd00240 KCXVZYZYPLLWCC-UHFFFAOYSA-J	EDTA Chelating agents Edetic acid Ethylenediaminetetraacetic acid Metal chelating agent ethylenediaminetetraacetate ethylenediaminetetraacetic acid
kegg.compound:C00284 keggC:C00284 KCXVZYZYPLLWCC-UHFFFAOYSA-N	EDTA Edetic acid Ethylenediaminetetraacetate Ethylenediaminetetraacetic acid
metacyc.compound:EDTA metacycM:EDTA KCXVZYZYPLLWCC-UHFFFAOYSA-L	EDTA ethylenediaminetetraacetate ethylenediaminetetraacetic acid
hmdb:HMDB0015109 KCXVZYZYPLLWCC-UHFFFAOYSA-N	Edetic Acid (Ethylenedinitrilo)tetraacetate, ion(4-) (Ethylenedinitrilo)tetraacetic acid, ion(4-) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid Acid, edetic Acid, ethylenediaminetetraacetic Acid, ethylenedinitrilotetraacetic Acide edetique Acide ethylenediaminetetracetique Acido edetico Acidum edeticum CaEDTA Calcitetracemate, disodium Calcium disodium edetate Calcium disodium versenate Calcium tetacine Chelaton 3 Chromium edta Copper edta Coprin Dicobalt edta Dinitrilotetraacetate, disodium ethylene Dinitrilotetraacetate, ethylene Disodium calcitetracemate Disodium edta Disodium ethylene dinitrilotetraacetate Disodium versenate, calcium Distannous edta EDT EDTA EDTA, chromium EDTA, copper EDTA, dicobalt EDTA, disodium EDTA, distannous EDTA, gallium EDTA, ion(4-) EDTA, magnesium disodium EDTA, potassium EDTA, stannous Edathamil Edetate Edetate calcium Edetate calcium disodium Edetate disodium calcium Edetate, calcium disodium Edetates Edetic acid Edetic acid, calcium salt Edetic acid, calcium, sodium salt Edetic acid, chromium salt Edetic acid, dipotassium salt Edetic acid, disodium salt Edetic acid, disodium salt, dihydrate Edetic acid, disodium, magnesium salt Edetic acid, disodium, monopotassium salt Edetic acid, magnesium salt Edetic acid, monopotassium salt Edetic acid, monosodium salt Edetic acid, potassium salt Edetic acid, sodium salt Ethylene dinitrilotetraacetate Ethylene dinitrilotetraacetate, disodium Ethylenediaminetetraacetate Ethylenediaminetetraacetic acid Ethylenedinitrilotetraacetic acid Gallium edta H4EDta Magnesium disodium edta N,N'-1,2-ethane diylbis-(N-(carboxymethyl)glycine) N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine) Potassium edta Stannous edta Tetacine, calcium Tetracemate Versenate Versenate, calcium disodium Versene Versene acid edta {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetIC ACID {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetate
kegg.drug:D00052 keggD:D00052 KCXVZYZYPLLWCC-UHFFFAOYSA-N	Edetic acid (NF/INN) EDTA Versene acid (TN)
envipath:...faa39a3d5122 envipathM:...faa39a3d5122 KCXVZYZYPLLWCC-UHFFFAOYSA-N	compound 0061706
CHEBI:4735 chebi:4735 KCXVZYZYPLLWCC-UHFFFAOYSA-N	ethylenediaminetetraacetic acid (ethane-1,2-diyldinitrilo)tetraacetic acid (ethylenedinitrilo)tetraacetic acid 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid 2-([2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino)acetic acid EDTA EDTA (chelating agent) H4edta N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine) N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine] acide edetique acido edetico acidum edeticum edathamil edetic acid ethylene-N,N'-biscarboxymethyl-N,N'-diglycine ethylenediamine-N,N,N',N'-tetraacetic acid ethylenedinitrilotetraacetic acid {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
hmdb:HMDB15109 chebi:30378 chebi:42189 keggC:M_C00284 keggD:M_D00052 seedM:M_cpd00240	secondary/obsolete/fantasy identifier