Chemical Components in the PDB

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MUA : Summary

Code

MUA

One-letter code

X

Molecule name

9-METHYL URIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 9-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
OpenEye OEToolkits 1.5.0 9-methyl-3,7-dihydropurine-2,6,8-trione

Formula

C6 H6 N4 O3

Formal charge

0

Molecular weight

182.137 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C2=C(NC(=O)N1)N(C(=O)N2)C
SMILES CACTVS 3.341 CN1C(=O)NC2=C1NC(=O)NC2=O
SMILES OpenEye OEToolkits 1.5.0 CN1C2=C(C(=O)NC(=O)N2)NC1=O
Canonical SMILES CACTVS 3.341 CN1C(=O)NC2=C1NC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN1C2=C(C(=O)NC(=O)N2)NC1=O

IUPAC InChI

InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)

IUPAC InChI key

XJEJWDFDVPDMAS-UHFFFAOYSA-N
MUA

wwPDB Information

Atom count

19 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-10-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned