Chemical Components in the PDB

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CWF : Summary

Code

CWF

One-letter code

X

Molecule name

(8S)-8-azanylnonanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (8~{S})-8-azanylnonanoic acid

Formula

C9 H19 N O2

Formal charge

0

Molecular weight

173.253 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](N)CCCCCCC(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(CCCCCCC(=O)O)N
Canonical SMILES CACTVS 3.385 C[C@H](N)CCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H](CCCCCCC(=O)O)N

IUPAC InChI

InChI=1S/C9H19NO2/c1-8(10)6-4-2-3-5-7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1

IUPAC InChI key

VXBHEKXWXPQBQM-QMMMGPOBSA-N
CWF

wwPDB Information

Atom count

31 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-24

Last modified at

2020-02-21

Status

Released

Obsoleted

Not Assigned