Chemical Components in the PDB

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PUT : Summary

Code

PUT

One-letter code

X

Molecule name

1,4-DIAMINOBUTANE

Synonyms

PUTRESCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 butane-1,4-diamine
OpenEye OEToolkits 1.5.0 butane-1,4-diamine

Formula

C4 H12 N2

Formal charge

0

Molecular weight

88.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCCN
SMILES CACTVS 3.341 NCCCCN
SMILES OpenEye OEToolkits 1.5.0 C(CCN)CN
Canonical SMILES CACTVS 3.341 NCCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCN)CN

IUPAC InChI

InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

IUPAC InChI key

KIDHWZJUCRJVML-UHFFFAOYSA-N
PUT

wwPDB Information

Atom count

18 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned