Chemical Components in the PDB

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PRO : Summary

Code

PRO

One-letter code

P

Molecule name

PROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-proline
OpenEye OEToolkits 1.5.0 (2S)-pyrrolidine-2-carboxylic acid

Formula

C5 H9 N O2

Formal charge

0

Molecular weight

115.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1NCCC1
SMILES CACTVS 3.341 OC(=O)[CH]1CCCN1
SMILES OpenEye OEToolkits 1.5.0 C1CC(NC1)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)[C@@H]1CCCN1
Canonical SMILES OpenEye OEToolkits 1.5.0 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-/m0/s1

IUPAC InChI key

ONIBWKKTOPOVIA-BYPYZUCNSA-N

Is part of

27U , SLC , 0EF , 0Z1 , 1ZV , 26U , 33U
PRO

wwPDB Information

Atom count

17 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned