Chemical Components in the PDB

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26P : Summary

Code

26P

One-letter code

X

Molecule name

2-AMINO-6-OXOPIMELIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-6-oxoheptanedioic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-oxo-heptanedioic acid

Formula

C7 H11 N O5

Formal charge

0

Molecular weight

189.166 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m0/s1

IUPAC InChI key

UKCSFKLWNHUBDY-BYPYZUCNSA-N
26P

wwPDB Information

Atom count

24 (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