HMU

5-HYDROXYMETHYL URACIL

Created:	2003-03-19
Last modified:	2021-03-13

Find Related PDB Entry
3 entries where HMU is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of HMU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-HYDROXYMETHYL URACIL
Synonyms	5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name (OpenEye OEToolkits)	5-(hydroxymethyl)-1H-pyrimidine-2,4-dione
Formula	C₅ H₆ N₂ O₃
Molecular Weight	142.113
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
InChIKey	InChI	1.03	JDBGXEHEIRGOBU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5280568, 78168
ChEMBL	CHEMBL1233360
ChEBI	CHEBI:16964
CCDC/CSD	IKIYOS
COD	2020465

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.