Chemical Components in the PDB

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LUM : Summary

Code

LUM

One-letter code

X

Molecule name

LUMICHROME

Synonyms

7,8-DIMETHYLALLOXAZINE
6,7-DIMETHYLALLOXAZINE

Systematic names

ProgramVersionName
ACDLabs 10.04 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.0 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione

Formula

C12 H10 N4 O2

Formal charge

0

Molecular weight

242.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
SMILES CACTVS 3.341 Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3
Canonical SMILES CACTVS 3.341 Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3

IUPAC InChI

InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

IUPAC InChI key

ZJTJUVIJVLLGSP-UHFFFAOYSA-N
LUM

wwPDB Information

Atom count

28 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-11-20

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned