Chemical Components in the PDB

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HMU : Summary

Code

HMU

One-letter code

X

Molecule name

5-HYDROXYMETHYL URACIL

Synonyms

5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.0 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione

Formula

C5 H6 N2 O3

Formal charge

0

Molecular weight

142.113 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C(=CNC(=O)N1)CO
SMILES CACTVS 3.341 OCC1=CNC(=O)NC1=O
SMILES OpenEye OEToolkits 1.5.0 C1=C(C(=O)NC(=O)N1)CO
Canonical SMILES CACTVS 3.341 OCC1=CNC(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=C(C(=O)NC(=O)N1)CO

IUPAC InChI

InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)

IUPAC InChI key

JDBGXEHEIRGOBU-UHFFFAOYSA-N
HMU

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-03-19

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned