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

91U , 0ZJ , P0H , 45S , 3SP , 34P , S04 , 176 , PHV , P97 , RA4 , 10U , 00Q , S33 , 99P , 46U , M31 , 0H8 , 165 , 32U , BJA , 1TS , 27U , 0QG , SLC , 26U , 2P6 , 31U , 21U , AZL , 06P , S49 , 1ZV , EP0 , S00 , 16U , B03 , 45U , 64U , VPF , 0Z1 , 0G6 , 50U , MDL , X8Z , S54 , PPX , EAL , S29 , LPR , 10P , 3A2 , P05 , ZPR , S28 , E69 , 0EF , 0G7 , 12U , 11U , ALZ , 0HW , 98P , 2P8 , 33U , 1Z0 , 02P , TIF , EP2 , MIN , 51U , M32 , 0ZO , 49U , RA8 , PHW , K7J , 0BM , 177 , B04 , 24U , 29U , 0EG , 19U
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