SEQ2FUN

BioLiP

PDB CCD ID: HMU
Number of entries in BioLiP: 7
Chemical formula: C5 H6 N2 O3
InChI: InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
InChIKey: JDBGXEHEIRGOBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)CO
ACDLabs 10.04O=C1C(=CNC(=O)N1)CO
CACTVS 3.341OCC1=CNC(=O)NC1=O
Name:5-HYDROXYMETHYL URACIL;
5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE
ChEMBL: CHEMBL1233360
ZINC: ZINC000000114121
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).