Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

SPD : Summary

Code

SPD

One-letter code

X

Molecule name

SPERMIDINE

Synonyms

N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE
PA(34)

Systematic names

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

Formula

C7 H19 N3

Formal charge

0

Molecular weight

145.246 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCNCCCCN
SMILES CACTVS 3.341 NCCCCNCCCN
SMILES OpenEye OEToolkits 1.5.0 C(CCNCCCN)CN
Canonical SMILES CACTVS 3.341 NCCCCNCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCNCCCN)CN

IUPAC InChI

InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

IUPAC InChI key

ATHGHQPFGPMSJY-UHFFFAOYSA-N
SPD

wwPDB Information

Atom count

29 (10 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

2024-01-23

Status

Released

Obsoleted

Not Assigned