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BioLiP

PDB CCD ID: MA7
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N5 O6 P
InChI: InChI=1S/C11H16N5O6P/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,12,17H,2-3H2,1H3,(H2,18,19,20)/p+1/t6-,7+,8+/m0/s1
InChIKey: ZADFQQACHTYMIF-XLPZGREQSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341C[n+]1cnc2n(cnc2c1N)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(N)[n+](cnc12)C)CC3O
OpenEye OEToolkits 1.5.0C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
CACTVS 3.341C[n+]1cnc2n(cnc2c1N)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0C[n+]1cnc2c(c1N)ncn2C3CC(C(O3)COP(=O)(O)O)O
Name:1N-METHYLADENOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058638649
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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