Chemical Components in the PDB

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DNN : Summary

Code

DNN

One-letter code

X

Molecule name

7,8-DIAMINO-NONANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (7R,8S)-7,8-diaminononanoic acid
OpenEye OEToolkits 1.5.0 (7R,8S)-7,8-diaminononanoic acid

Formula

C9 H20 N2 O2

Formal charge

0

Molecular weight

188.267 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCC(N)C(N)C
SMILES CACTVS 3.341 C[CH](N)[CH](N)CCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C(CCCCCC(=O)O)N)N
Canonical SMILES CACTVS 3.341 C[C@H](N)[C@H](N)CCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]([C@@H](CCCCCC(=O)O)N)N

IUPAC InChI

InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1

IUPAC InChI key

KCEGBPIYGIWCDH-JGVFFNPUSA-N
DNN

wwPDB Information

Atom count

33 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned