Chemical Components in the PDB

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SHR : Summary

Code

SHR

One-letter code

K

Molecule name

N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid
OpenEye OEToolkits 1.5.0 (2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]amino]pentanedioic acid

Formula

C11 H20 N2 O6

Formal charge

0

Molecular weight

276.286 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O
SMILES CACTVS 3.341 N[CH](CCCCN[CH](CCC(O)=O)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1

IUPAC InChI key

ZDGJAHTZVHVLOT-YUMQZZPRSA-N
SHR

wwPDB Information

Atom count

39 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2000-07-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned