SEQ2FUN

BioLiP

PDB CCD ID: TYU
Number of entries in BioLiP: 8
Chemical formula: C9 H16 N2 O6
InChI: InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1
InChIKey: UCKYOOZPSJFJIZ-FMDGEEDCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC[C@@H](O)NC2=O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2CC[CH](O)NC2=O
ACDLabs 10.04O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O
Name:TETRAHYDROURIDINE;
1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE
ChEMBL: CHEMBL1236475
ZINC: ZINC000001703948
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).