Chemical Components in the PDB

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SPM : Summary

Code

SPM

One-letter code

X

Molecule name

SPERMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N'-bis(3-aminopropyl)butane-1,4-diamine
OpenEye OEToolkits 1.5.0 N,N'-bis(3-aminopropyl)butane-1,4-diamine

Formula

C10 H26 N4

Formal charge

0

Molecular weight

202.34 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCNCCCCNCCCN
SMILES CACTVS 3.341 NCCCNCCCCNCCCN
SMILES OpenEye OEToolkits 1.5.0 C(CCNCCCN)CNCCCN
Canonical SMILES CACTVS 3.341 NCCCNCCCCNCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCNCCCN)CNCCCN

IUPAC InChI

InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2

IUPAC InChI key

PFNFFQXMRSDOHW-UHFFFAOYSA-N
SPM

wwPDB Information

Atom count

40 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned