SEQ2FUN

BioLiP

PDB CCD ID: GMU
Number of entries in BioLiP: 0
Chemical formula: C13 H24 N5 O9 P
InChI: InChI=1S/C13H24N5O9P/c1-6-4-18(13(21)17-10(6)20)11-9(25-3-2-16-12(14)15)8(19)7(27-11)5-26-28(22,23)24/h4,7-9,11-12,16,19H,2-3,5,14-15H2,1H3,(H,17,20,21)(H2,22,23,24)/t7-,8-,9-,11-/m1/s1
InChIKey: ZVINVJYRGPQIPJ-TURQNECASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCNC(N)N
CACTVS 3.341CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCNC(N)N)C(=O)NC1=O
CACTVS 3.341CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OCCNC(N)N)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)OCCNC(N)N
ACDLabs 10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCNC(N)N)COP(=O)(O)O
Name:2'-O-[(2-GUANIDINIUM)ETHYL]-5-METHYLURIDINE 5'-MONOPHOSPHATE
ZINC: ZINC000058631783
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).