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BioLiP

PDB CCD ID: MUM
Number of entries in BioLiP: 0
Chemical formula: C10 H17 N2 O8 P
InChI: InChI=1S/C10H17N2O8P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(17)18/h4-7,9,13-14,17-18H,2-3H2,1H3,(H,11,15,16)/t4-,5-,6-,7-,9-/m1/s1
InChIKey: DIQYSSQJRBHEDN-DMKSXPFUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1CN([CH]2O[CH](COP(O)O)[CH](O)[CH]2O)C(=O)NC1=O
OpenEye OEToolkits 2.0.6C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O
CACTVS 3.385C[C@@H]1CN([C@@H]2O[C@H](COP(O)O)[C@@H](O)[C@H]2O)C(=O)NC1=O
OpenEye OEToolkits 2.0.6CC1CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)O)O)O
ACDLabs 12.01C1(C(NC(N(C1)C2OC(C(O)C2O)COP(O)O)=O)=O)C
Name:5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
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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