SEQ2FUN

BioLiP

PDB CCD ID: E7G
Number of entries in BioLiP: 0
Chemical formula: C12 H20 N5 O8 P
InChI: InChI=1S/C12H20N5O8P/c1-2-16-4-17(9-6(16)10(20)15-12(13)14-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h5,7-8,11,18-19H,2-4H2,1H3,(H2,21,22,23)(H3,13,14,15,20)/t5-,7-,8-,11-/m1/s1
InChIKey: HSMAREPZSRKNKX-IOSLPCCCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.6CCN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.385CCN1CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N
CACTVS 3.385CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
Name:7-ethyl, guanosine-5'-monophosphate
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).