Chemical Components in the PDB

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CUT : Summary

Code

CUT

One-letter code

X

Molecule name

[2,4-bis(oxidanyl)phenyl]-phenyl-methanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [2,4-bis(oxidanyl)phenyl]-phenyl-methanone

Formula

C13 H10 O3

Formal charge

0

Molecular weight

214.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1ccc(c(O)c1)C(=O)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)c2ccc(cc2O)O
Canonical SMILES CACTVS 3.385 Oc1ccc(c(O)c1)C(=O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)c2ccc(cc2O)O

IUPAC InChI

InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H

IUPAC InChI key

ZXDDPOHVAMWLBH-UHFFFAOYSA-N
CUT

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-05

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned