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BioLiP

PDB CCD ID: G48
Number of entries in BioLiP: 0
Chemical formula: C13 H20 N5 O9 P
InChI: InChI=1S/C13H20N5O9P/c1-24-2-3-25-9-8(19)6(4-26-28(21,22)23)27-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1
InChIKey: XPQHQKCWTLHVLZ-WOUKDFQISA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N
CACTVS 3.370COCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N
OpenEye OEToolkits 1.7.6COCCOC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O
OpenEye OEToolkits 1.7.6COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(OCCOC)C3O
Name:2'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058639048
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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