SEQ2FUN

BioLiP

PDB CCD ID: MHG
Number of entries in BioLiP: 0
Chemical formula: C17 H30 N5 O8 P
InChI: InChI=1S/C17H30N5O8P/c1-4-9(2)5-6-21-8-22(14-11(21)15(25)20-17(18-3)19-14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h9-10,12-13,16,23-24H,4-8H2,1-3H3,(H2,26,27,28)(H2,18,19,20,25)/t9-,10+,12+,13+,16+/m0/s1
InChIKey: WNUMQHCELGRVGJ-UOYPZJKHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.385CC[CH](C)CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)NC
CACTVS 3.385CC[C@H](C)CCN1CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)NC
OpenEye OEToolkits 2.0.6CCC(C)CCN1CN(C2=C1C(=O)NC(=N2)NC)C3C(C(C(O3)COP(=O)(O)O)O)O
Name:2-methyl, 7-(3-methyl-pentane), 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).