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

1Z0 , B03 , K7J , 26U , 0EG , B01 , 29U , 177 , S28 , 99P , 0G7 , 074 , 49U , EAL , S00 , 0H8 , M34 , B04 , 2TS , S29 , 37U , 10P , EP2 , P05 , ALZ , LPR , MIN , P97 , P0H , 27U , 19U , 1ZV , 21U , PHV , 45S , 165 , RA8 , 98P , 0ZJ , 0BM , SLC , 0EF , S33 , 0Z1 , S04 , 46U , 1ZG , 24U , 0HW , 91U , RA4 , E69 , MDL , 3SP , 2P6 , 13U , 50U , 11U , 3A2 , 2P8 , 0ZO , 34P , 53U , 0G6 , PPX , ZPR , 00Q , BJA , M31 , 33U , 51U , 45U , 0QG , 64U , 16U , 31U , M32 , M41
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