Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

LFW : Summary

Code

LFW

One-letter code

X

Molecule name

(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate

Formula

C17 H11 I O4

Formal charge

0

Molecular weight

406.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I
Canonical SMILES CACTVS 3.385 Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I

IUPAC InChI

InChI=1S/C17H11IO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3

IUPAC InChI key

OUKFXYLCMXELAC-UHFFFAOYSA-N
LFW

wwPDB Information

Atom count

33 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-14

Last modified at

2020-05-15

Status

Released

Obsoleted

Not Assigned