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FT0 : Summary

Code

FT0

One-letter code

X

Molecule name

3-hydroxy-4-phenoxybenzaldehyde

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 3-hydroxy-4-phenoxy-benzaldehyde

Formula

C13 H10 O3

Formal charge

0

Molecular weight

214.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 Oc1cc(C=O)ccc1Oc2ccccc2
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)Oc2ccc(cc2O)C=O
Canonical SMILES CACTVS 3.352 Oc1cc(C=O)ccc1Oc2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)Oc2ccc(cc2O)C=O

IUPAC InChI

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

IUPAC InChI key

MYXBTODVMFBVIC-UHFFFAOYSA-N
FT0

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

2010-02-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned