Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

4P5 : Summary

Code

4P5

One-letter code

X

Molecule name

4H-furo[3,2-b]pyrrole-5-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 4H-furo[3,2-b]pyrrole-5-carboxylic acid
OpenEye OEToolkits 1.5.0 4H-furo[2,3-d]pyrrole-5-carboxylic acid

Formula

C7 H5 N O3

Formal charge

0

Molecular weight

151.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c2cc1occc1n2
SMILES CACTVS 3.341 OC(=O)c1[nH]c2ccoc2c1
SMILES OpenEye OEToolkits 1.5.0 c1coc2c1[nH]c(c2)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1[nH]c2ccoc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1coc2c1[nH]c(c2)C(=O)O

IUPAC InChI

InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)

IUPAC InChI key

MMAIBGHDBYQYDI-UHFFFAOYSA-N
4P5

wwPDB Information

Atom count

16 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-04-29

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned