H2U

5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
4 entries where H2U is found as a standalone ligand1 entries where H2U is covalently linked to polymer or other heterogen groups 338 entries where H2U is found in a polymer sequence

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	36
Chiral Atom Count	4
Bond Count	37
Aromatic Bond Count	0

2D diagram of H2U

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₉ H₁₅ N₂ O₉ P
Molecular Weight	326.197
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CCC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	NBWDKGJHOHJBRJ-XVFCMESISA-N

Related Resource References

Resource Name	Reference
PubChem	440416
ChEBI	CHEBI:74673

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.