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BioLiP

PDB CCD ID: A1BBB
Number of entries in BioLiP: 4
Chemical formula: C10 H15 N2 O10 P
InChI: InChI=1S/C10H15N2O10P/c13-2-4-1-12(10(17)11-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h1,5-7,9,13-15H,2-3H2,(H,11,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
InChIKey: WQCABYUOJVUOEC-JXOAFFINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O
OpenEye OEToolkits 2.0.7C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)CO
OpenEye OEToolkits 2.0.7C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO
CACTVS 3.385OCC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O
ACDLabs 14.52O=P(O)(O)OCC1OC(N2C=C(CO)C(=O)NC2=O)C(O)C1O
Name:5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate);
5-(hydroxymethyl)uridine 5'-monophosphate
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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