Chemical Components in the PDB

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LFN : Summary

Code

LFN

One-letter code

X

Molecule name

LUMIFLAVIN

Synonyms

7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 7,8,10-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione
OpenEye OEToolkits 1.5.0 7,8,10-trimethylbenzo[g]pteridine-2,4-dione

Formula

C13 H12 N4 O2

Formal charge

0

Molecular weight

256.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C
SMILES CACTVS 3.341 CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13
SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C
Canonical SMILES CACTVS 3.341 CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C

IUPAC InChI

InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)

IUPAC InChI key

KPDQZGKJTJRBGU-UHFFFAOYSA-N
LFN

wwPDB Information

Atom count

31 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-01-13

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned