Chemical Components in the PDB

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PRS : Summary

Code

PRS

One-letter code

P

Molecule name

THIOPROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (4R)-1,3-thiazolidine-4-carboxylic acid
OpenEye OEToolkits 1.5.0 (4R)-1,3-thiazolidine-4-carboxylic acid

Formula

C4 H7 N O2 S

Formal charge

0

Molecular weight

133.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1NCSC1
SMILES CACTVS 3.341 OC(=O)[CH]1CSCN1
SMILES OpenEye OEToolkits 1.5.0 C1C(NCS1)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)[C@@H]1CSCN1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H](NCS1)C(=O)O

IUPAC InChI

InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1

IUPAC InChI key

DZLNHFMRPBPULJ-VKHMYHEASA-N
PRS

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned