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BioLiP

PDB CCD ID: MNU
Number of entries in BioLiP: 0
Chemical formula: C11 H18 N3 O9 P
InChI: InChI=1S/C11H18N3O9P/c1-12-2-5-3-14(11(18)13-9(5)17)10-8(16)7(15)6(23-10)4-22-24(19,20)21/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,18)(H2,19,20,21)/t6-,7-,8-,10-/m1/s1
InChIKey: NLAYVTPUNIVXFK-FDDDBJFASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CNCC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341CNCC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O
ACDLabs 10.04O=C1NC(=O)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CNCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.341CNCC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O
Name:(2R,4S)-1-[(4R)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]-5-[(METHYLAMINO)METHYL]-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIOL-5'-MON OPHOSPHATE;
C5-(METHYLAMINO)METHYL-URIDINE-5'-MONOPHOSPHATE
ZINC: ZINC000058638730
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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