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BioLiP

PDB CCD ID: 2MA
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O7 P
InChI: InChI=1S/C11H16N5O7P/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKey: DEYSCYWEHGTTSA-IOSLPCCCSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c2N=C(NC1=[N@H])C)C(O)C3O
OpenEye OEToolkits 1.5.0CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1
OpenEye OEToolkits 1.5.0CC1=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(=N)N1
CACTVS 3.341CC1=Nc2n(cnc2C(=N)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.341CC1=Nc2n(cnc2C(=N)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Name:2-METHYLADENOSINE-5'-MONOPHOSPHATE
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)(download the PDF file).
  • 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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