Chemical Components in the PDB

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104 : Summary

Code

104

One-letter code

X

Molecule name

N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE

Synonyms

TRIENTINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N'-bis(2-aminoethyl)ethane-1,2-diamine
OpenEye OEToolkits 1.5.0 N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine

Formula

C6 H18 N4

Formal charge

0

Molecular weight

146.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCNCCNCCN
SMILES CACTVS 3.341 NCCNCCNCCN
SMILES OpenEye OEToolkits 1.5.0 C(CNCCNCCN)N
Canonical SMILES CACTVS 3.341 NCCNCCNCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CNCCNCCN)N

IUPAC InChI

InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

IUPAC InChI key

VILCJCGEZXAXTO-UHFFFAOYSA-N
104

wwPDB Information

Atom count

28 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-12-09

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned