SEQ2FUN

BioLiP

PDB CCD ID: M7A
Number of entries in BioLiP: 0
Chemical formula: C11 H18 N5 O7 P
InChI: InChI=1S/C11H18N5O7P/c1-15-4-16(10-6(15)9(12)13-3-14-10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2,4H2,1H3,(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKey: FKHMVBQIIIBSCT-IOSLPCCCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c3ncnc(N)c13
OpenEye OEToolkits 2.0.6CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.6CN1CN(c2c1c(ncn2)N)C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.385CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3ncnc(N)c13
Name:7-methyl, adenosine-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).