Chemical Components in the PDB

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IXM : Summary

Code

IXM

One-letter code

X

Molecule name

(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME

Systematic names

ProgramVersionName
ACDLabs 10.04 (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
OpenEye OEToolkits 1.5.0 (3Z)-3-[(3E)-3-hydroxyimino-1H-indol-2-ylidene]-1H-indol-2-one

Formula

C16 H11 N3 O2

Formal charge

0

Molecular weight

277.277 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2C(\c1ccccc1N2)=C4\C(=N\O)\c3ccccc3N4
SMILES CACTVS 3.341 ON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2
Canonical SMILES CACTVS 3.341 O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4ccccc34
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2

IUPAC InChI

InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+

IUPAC InChI key

HBDSHCUSXQATPO-BGBJRWHRSA-N
IXM

wwPDB Information

Atom count

32 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-08-06

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned