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BioLiP

PDB CCD ID: O7M
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N2 O11 P
InChI: InChI=1S/C11H15N2O11P/c1-22-10(17)4-2-6(14)12-11(18)13(4)9-8(16)7(15)5(24-9)3-23-25(19,20)21/h2,5,7-9,15-16H,3H2,1H3,(H,12,14,18)(H2,19,20,21)/t5-,7-,8-,9-/m1/s1
InChIKey: VOHILSGGFMXAFJ-ZOQUXTDFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COC(=O)C1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.385COC(=O)C1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
ACDLabs 12.01O=C(OC)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
OpenEye OEToolkits 1.7.6COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.385COC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
Name:6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate)
ZINC: ZINC000098209258
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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