Chemical Components in the PDB

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BPY : Summary

Code

BPY

One-letter code

X

Molecule name

BIPHENYL-2,3-DIOL

Systematic names

ProgramVersionName
ACDLabs 10.04 biphenyl-2,3-diol
OpenEye OEToolkits 1.5.0 3-phenylbenzene-1,2-diol

Formula

C12 H10 O2

Formal charge

0

Molecular weight

186.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc2c(c1ccccc1)cccc2O
SMILES CACTVS 3.341 Oc1cccc(c2ccccc2)c1O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2cccc(c2O)O
Canonical SMILES CACTVS 3.341 Oc1cccc(c2ccccc2)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2cccc(c2O)O

IUPAC InChI

InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H

IUPAC InChI key

YKOQAAJBYBTSBS-UHFFFAOYSA-N
BPY

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-03-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned