Chemical Components in the PDB

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2PC : Summary

Code

2PC

One-letter code

X

Molecule name

3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE

Systematic names

ProgramVersionName
ACDLabs 10.04 3,4-dihydro-2H-pyrrolium-5-carboxylate
OpenEye OEToolkits 1.5.0 4,5-dihydro-3H-pyrrol-1-ium-2-carboxylate

Formula

C5 H7 N O2

Formal charge

0

Molecular weight

113.115 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]C(=O)C1=[NH+]CCC1
SMILES CACTVS 3.341 [O-]C(=O)C1=[NH+]CCC1
SMILES OpenEye OEToolkits 1.5.0 C1CC(=[NH+]C1)C(=O)[O-]
Canonical SMILES CACTVS 3.341 [O-]C(=O)C1=[NH+]CCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CC(=[NH+]C1)C(=O)[O-]

IUPAC InChI

InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)

IUPAC InChI key

RHTAIKJZSXNELN-UHFFFAOYSA-N
2PC

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-05-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned