Chemical Components in the PDB

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DLZ : Summary

Code

DLZ

One-letter code

X

Molecule name

1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol

Synonyms

6,7-dimethyl-8-(1'-D-ribityl) lumazine

Systematic names

ProgramVersionName
ACDLabs 10.04 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
OpenEye OEToolkits 1.5.0 6,7-dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione

Formula

C13 H18 N4 O6

Formal charge

0

Molecular weight

326.305 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO
SMILES CACTVS 3.341 CC1=C(C)N(C[CH](O)[CH](O)[CH](O)CO)C2=NC(=O)NC(=O)C2=N1
SMILES OpenEye OEToolkits 1.5.0 CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C
Canonical SMILES CACTVS 3.341 CC1=C(C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C

IUPAC InChI

InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1

IUPAC InChI key

SXDXRJZUAJBNFL-XKSSXDPKSA-N
DLZ

wwPDB Information

Atom count

41 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-06-16

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned