Chemical Components in the PDB

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DPR : Summary

Code

DPR

One-letter code

P

Molecule name

D-PROLINE

Systematic names

ProgramVersionName
ACDLabs 12.01 D-proline
OpenEye OEToolkits 1.7.0 (2R)-pyrrolidine-2-carboxylic acid

Formula

C5 H9 N O2

Formal charge

0

Molecular weight

115.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1NCCC1
SMILES CACTVS 3.370 OC(=O)[CH]1CCCN1
SMILES OpenEye OEToolkits 1.7.0 C1CC(NC1)C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)[C@H]1CCCN1
Canonical SMILES OpenEye OEToolkits 1.7.0 C1C[C@@H](NC1)C(=O)O

IUPAC InChI

InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

IUPAC InChI key

ONIBWKKTOPOVIA-SCSAIBSYSA-N

Is part of

N8P
DPR

wwPDB Information

Atom count

17 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned