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BioLiP

PDB CCD ID: JW5
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N2 O10 P
InChI: InChI=1S/C10H15N2O10P/c13-2-4-1-6(14)11-10(17)12(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,13,15-16H,2-3H2,(H,11,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
InChIKey: MSQUFEPNTQRBDI-ZOQUXTDFSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C(=C1)CO)C2OC(C(O)C2O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)CO
OpenEye OEToolkits 1.5.0C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO
CACTVS 3.341OCC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
CACTVS 3.341OCC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
Name:6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE)
ZINC: ZINC000058649740
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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