Chemical Components in the PDB

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PXU : Summary

Code

PXU

One-letter code

P

Molecule name

2-hydroxy-L-proline

Systematic names

ProgramVersionName
ACDLabs 12.01 2-hydroxy-L-proline
OpenEye OEToolkits 1.7.6 (2R)-2-oxidanylpyrrolidine-2-carboxylic acid

Formula

C5 H9 N O3

Formal charge

0

Molecular weight

131.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1(O)NCCC1
SMILES CACTVS 3.370 OC(=O)[C]1(O)CCCN1
SMILES OpenEye OEToolkits 1.7.6 C1CC(NC1)(C(=O)O)O
Canonical SMILES CACTVS 3.370 OC(=O)[C@]1(O)CCCN1
Canonical SMILES OpenEye OEToolkits 1.7.6 C1C[C@](NC1)(C(=O)O)O

IUPAC InChI

InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1

IUPAC InChI key

JNKCXIWJIVUIMN-RXMQYKEDSA-N
PXU

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2012-10-03

Last modified at

2012-10-05

Status

Released

Obsoleted

Not Assigned