Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Show more...Show more...Show more...Show more...

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 23:59:21 UTC

Update Date

2021-09-26 22:56:23 UTC

HMDB ID

HMDB0246968

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Ethylenediamine-N,N'-diacetic acid

Description

Ethylenediamine-N,N'-diacetic acid, also known as EDDA or N,n'-ethylenediaminediacetate, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Ethylenediamine-N,N'-diacetic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Ethylenediamine-N,N'-diacetic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ethylenediamine-n,n'-diacetic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ethylenediamine-N,N'-diacetic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       8.264   4.771   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.263   4.001   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       5.596   6.311   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      12.265   4.001   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.266   4.771   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    1    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
((2-[(Carboxymethyl)amino]ethyl)amino)acetic acid	ChEBI
1,2-Bis(carboxymethylamino)ethane	ChEBI
2,2'-(Ethane-1,2-diyldiazanediyl)diacetic acid	ChEBI
EDDA	ChEBI
Ethylenediamine-N,n'-di(acetic acid)	ChEBI
N,N'-ethylenediaminediacetic acid	ChEBI
N,N'-ethylenediglycine	ChEBI
((2-[(Carboxymethyl)amino]ethyl)amino)acetate	Generator
2,2'-(Ethane-1,2-diyldiazanediyl)diacetate	Generator
Ethylenediamine-N,n'-di(acetate)	Generator
N,N'-ethylenediaminediacetate	Generator
Ethylenediamine-N,n'-diacetate	Generator
Ethylenediaminediacetate	HMDB
EDDA copper salt	HMDB
EDDA disodium salt	HMDB
EDDA monosodium salt	HMDB
EDDA-ZN	HMDB
EDDA-maganeese	HMDB
Fe(III)-edda	HMDB
Fe(III)-ethylenediamine-N,n'-diacetate	HMDB
NiEDDA	HMDB
Iron(2+)-edda	HMDB
Zinc-edda	HMDB
Ethylenediamine-N,n'-diacetic acid	ChEBI

Chemical Formula

C₆H₁₂N₂O₄

Average Molecular Weight

176.172

Monoisotopic Molecular Weight

176.079706874

IUPAC Name

2-({2-[(carboxymethyl)amino]ethyl}amino)acetic acid

Traditional Name

({2-[(carboxymethyl)amino]ethyl}amino)acetic acid

CAS Registry Number

Not Available

SMILES

OC(=O)CNCCNCC(O)=O

InChI Identifier

InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)

InChI Key

IFQUWYZCAGRUJN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Dicarboxylic acid or derivatives
Amino acid
Carboxylic acid
Secondary aliphatic amine
Secondary amine
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3.5	ALOGPS
logP	-6.4	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.36	ChemAxon
pKa (Strongest Basic)	9.87	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	98.66 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	39.59 m³·mol⁻¹	ChemAxon
Polarizability	16.98 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	131.135	30932474
DeepCCS	[M-H]-	127.473	30932474
DeepCCS	[M-2H]-	164.356	30932474
DeepCCS	[M+Na]+	139.699	30932474
AllCCS	[M+H]+	137.4	32859911
AllCCS	[M+H-H2O]+	133.8	32859911
AllCCS	[M+NH4]+	140.8	32859911
AllCCS	[M+Na]+	141.8	32859911
AllCCS	[M-H]-	137.3	32859911
AllCCS	[M+Na-2H]-	138.9	32859911
AllCCS	[M+HCOO]-	140.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ethylenediamine-N,N'-diacetic acid	OC(=O)CNCCNCC(O)=O	2767.5	Standard polar	33892256
Ethylenediamine-N,N'-diacetic acid	OC(=O)CNCCNCC(O)=O	1695.7	Standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid	OC(=O)CNCCNCC(O)=O	1752.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ethylenediamine-N,N'-diacetic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNCCN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	1861.5	Semi standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNCCN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	1908.3	Standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNCCN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2188.7	Standard polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(CCN(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	1928.0	Semi standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(CCN(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	1975.4	Standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(CCN(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2305.1	Standard polar	33892256
Ethylenediamine-N,N'-diacetic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1958.7	Semi standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1987.9	Standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2063.3	Standard polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNCCN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2560.6	Semi standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNCCN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2484.6	Standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNCCN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2480.5	Standard polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(CCN(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2626.8	Semi standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(CCN(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2513.0	Standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(CCN(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2576.6	Standard polar	33892256
Ethylenediamine-N,N'-diacetic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2868.7	Semi standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2703.5	Standard non polar	33892256
Ethylenediamine-N,N'-diacetic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(CCN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2516.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-000l-9400000000-11dccb35aa9386a7fda2	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ethylenediamine-N,N'-diacetic acid GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylenediamine-N,N'-diacetic acid 10V, Positive-QTOF	splash10-0pb9-3900000000-58b397e893861206c34c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylenediamine-N,N'-diacetic acid 20V, Positive-QTOF	splash10-0pbi-9300000000-35db291cc366ccb82c92	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylenediamine-N,N'-diacetic acid 40V, Positive-QTOF	splash10-0a4i-9000000000-2860813aa0a21b5741fa	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylenediamine-N,N'-diacetic acid 10V, Negative-QTOF	splash10-004i-0900000000-d87ae43f0ec639a521aa	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylenediamine-N,N'-diacetic acid 20V, Negative-QTOF	splash10-00fr-6900000000-e847ed83b275f898b72e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylenediamine-N,N'-diacetic acid 40V, Negative-QTOF	splash10-007o-9000000000-c035edd8bda24ae1f352	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

55826

KEGG Compound ID

Not Available

BioCyc ID

CPD-18915

BiGG ID

Not Available

Wikipedia Link

Ethylenediaminediacetic acid

METLIN ID

Not Available

PubChem Compound

61975

PDB ID

Not Available

ChEBI ID

132240

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Ethylenediamine-N,N'-diacetic acid (HMDB0246968)

MOL for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

3D MOL for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

3D SDF for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

3D-SDF for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

PDB for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

3D PDB for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

SMILES for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

INCHI for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

Structure for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

3D Structure for HMDB0246968 (Ethylenediamine-N,N'-diacetic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra