Chemical Components in the PDB

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EDN : Summary

Code

EDN

One-letter code

X

Molecule name

ETHANE-1,2-DIAMINE

Synonyms

ETHYLENEDIAMINE

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 ethane-1,2-diamine

Formula

C2 H8 N2

Formal charge

0

Molecular weight

60.098 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 NCCN
SMILES OpenEye OEToolkits 1.6.1 C(CN)N
Canonical SMILES CACTVS 3.352 NCCN
Canonical SMILES OpenEye OEToolkits 1.6.1 C(CN)N

IUPAC InChI

InChI=1S/C2H8N2/c3-1-2-4/h1-4H2

IUPAC InChI key

PIICEJLVQHRZGT-UHFFFAOYSA-N

Is part of

INN
EDN

wwPDB Information

Atom count

12 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-15

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned