Chemical Components in the PDB

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AML : Summary

Code

AML

One-letter code

X

Molecule name

AMYLAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 pentan-1-amine
OpenEye OEToolkits 1.5.0 pentan-1-amine

Formula

C5 H13 N

Formal charge

0

Molecular weight

87.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCCC
SMILES CACTVS 3.341 CCCCCN
SMILES OpenEye OEToolkits 1.5.0 CCCCCN
Canonical SMILES CACTVS 3.341 CCCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCN

IUPAC InChI

InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3

IUPAC InChI key

DPBLXKKOBLCELK-UHFFFAOYSA-N

Is part of

PN4
AML

wwPDB Information

Atom count

19 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-07-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned