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BioLiP

PDB CCD ID: 127
Number of entries in BioLiP: 0
Chemical formula: C12 H20 N3 O10 P
InChI: InChI=1S/C12H20N3O10P/c1-6-4-15(12(18)14-10(6)17)11-9(22-2-3-23-13)8(16)7(25-11)5-24-26(19,20)21/h4,7-9,11,16H,2-3,5,13H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1
InChIKey: JDSWLJMCXJILRI-TURQNECASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCON)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON
ACDLabs 10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCON)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCON
CACTVS 3.341CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OCCON)C(=O)NC1=O
Name:2'-O-AMINOOXY-ETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE
ZINC: ZINC000048015766
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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