Chemical Components in the PDB

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37Z : Summary

Code

37Z

One-letter code

X

Molecule name

sym-homospermidine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4-aminobutyl)butane-1,4-diamine
OpenEye OEToolkits 1.9.2 N'-(4-azanylbutyl)butane-1,4-diamine

Formula

C8 H21 N3

Formal charge

0

Molecular weight

159.272 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCCCCNCCCCN
SMILES CACTVS 3.385 NCCCCNCCCCN
SMILES OpenEye OEToolkits 1.9.2 C(CCNCCCCN)CN
Canonical SMILES CACTVS 3.385 NCCCCNCCCCN
Canonical SMILES OpenEye OEToolkits 1.9.2 C(CCNCCCCN)CN

IUPAC InChI

InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2

IUPAC InChI key

UODZHRGDSPLRMD-UHFFFAOYSA-N
37Z

wwPDB Information

Atom count

32 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-07-02

Last modified at

2015-07-02

Status

Released

Obsoleted

Not Assigned