Chemical Components in the PDB

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RCO : Summary

Code

RCO

One-letter code

X

Molecule name

RESORCINOL

Synonyms

1,3-BENZENEDIOL
1,3-DIHYDROXYBENZENE

Systematic names

ProgramVersionName
ACDLabs 10.04 benzene-1,3-diol
OpenEye OEToolkits 1.5.0 benzene-1,3-diol

Formula

C6 H6 O2

Formal charge

0

Molecular weight

110.111 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cccc(O)c1
SMILES CACTVS 3.341 Oc1cccc(O)c1
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)O)O
Canonical SMILES CACTVS 3.341 Oc1cccc(O)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)O)O

IUPAC InChI

InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

IUPAC InChI key

GHMLBKRAJCXXBS-UHFFFAOYSA-N
RCO

wwPDB Information

Atom count

14 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned