SEQ2FUN

BioLiP

PDB CCD ID: A1IEA
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N5 O7 P
InChI: InChI=1S/C11H16N5O7P/c1-15-3-14-9(12)6-10(15)16(4-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/p+1/t5-,7-,8-,11-/m1/s1
InChIKey: XPHLDSANNGAVEC-IOSLPCCCSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385C[n+]1cnc(N)c2ncn([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c12
OpenEye OEToolkits 2.0.7C[n+]1cnc(c2c1n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
CACTVS 3.385C[n+]1cnc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c12
OpenEye OEToolkits 2.0.7C[n+]1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
Name:N3-methyl adenosine-5'-monophosphate;
[(2R,3S,4R,5R)-5-(6-azanyl-3-methyl-purin-3-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
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).