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BioLiP

PDB CCD ID: Y5P
Number of entries in BioLiP: 0
Chemical formula: C9 H15 N2 O7 P
InChI: InChI=1S/C9H15N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1,3,5-9,12-13H,2,4H2,(H2,14,15,16)/t6-,7-,8-,9-/m1/s1
InChIKey: ZGXCQKJYIKURPN-FNCVBFRFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C=CN(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.7.6C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CCN=C2
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C=NCC=C1)C(O)C2O
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CCN=C2
Name:1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine;
PYRIMIDINE RIBOSIDE-5'-MONOPHOSPHATE
ZINC: ZINC000263621338
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)(download the PDF file).
  • 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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