Chemical Components in the PDB

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DSD : Summary

Code

DSD

One-letter code

X

Molecule name

7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (7R,8S)-8-amino-7-(carboxyamino)nonanoic acid
OpenEye OEToolkits 1.5.0 (7R,8S)-8-amino-7-(carboxyamino)nonanoic acid

Formula

C10 H20 N2 O4

Formal charge

0

Molecular weight

232.277 Da

SMILES

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

IUPAC InChI

InChI=1S/C10H20N2O4/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1

IUPAC InChI key

OQNJZSIPDMTUAJ-JGVFFNPUSA-N
DSD

wwPDB Information

Atom count

36 (16 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