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BioLiP

PDB CCD ID: U6M
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N2 O9 P
InChI: InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
InChIKey: CHBBJHPQYVYKFI-ZOQUXTDFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1C)C(O)C2O
OpenEye OEToolkits 1.7.6CC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.385CC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
CACTVS 3.385CC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Name:6-methyluridine 5'-(dihydrogen phosphate)
ChEMBL: CHEMBL472783
ZINC: ZINC000014975893
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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