KEGG   COMPOUND: C11277
Entry
C11277                      Compound                               
Name
Adefovir;
PMEA;
9-(2-Phosphonylmethoxyethyl)adenine
Formula
C8H12N5O4P
Exact mass
273.0627
Mol weight
273.1857
Structure
Remark
Same as: D02768
Pathway
map04976  Bile secretion
Brite
Drug groups [BR:br08330]
 Antiviral
  DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
   DG01224  Adefovir
    D02768  Adefovir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    D02768  Adefovir (USAN/INN)
Prodrugs [br08324.html]
 D02768
Prodrugs [br08324.html]
 C11277
Other DBs
CAS: 106941-25-7
PubChem: 13454
ChEBI: 2469
PDB-CCD: 5HG[PDBj]
NIKKAJI: J291.907I
LinkDB
KCF data

ATOM        18
            1   C8y C    29.8619  -18.4473
            2   C8y C    29.8619  -16.9857
            3   N4y N    28.5395  -18.8650
            4   N5x N    31.1147  -19.0737
            5   N5x N    28.5395  -16.5681
            6   C8y C    31.1147  -16.3592
            7   C8x C    27.7043  -17.7513
            8   C8x C    32.2980  -18.4473
            9   N5x N    32.2980  -16.9857
            10  N1a N    31.1147  -14.9672
            11  C1b C    28.5395  -20.2601
            12  C1b C    27.3373  -20.9541
            13  O2a O    26.1225  -20.2526
            14  C1b C    24.8991  -20.9594
            15  P1b P    23.6792  -20.2560
            16  O1c O    22.4708  -19.5584
            17  O1c O    22.9852  -21.4580
            18  O1c O    24.3795  -19.0424
BOND        19
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     4   8 2
            5     6   9 2
            6     5   7 2
            7     8   9 1
            8     1   2 2
            9     1   3 1
            10    1   4 1
            11    6  10 1
            12    3  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   15  18 2

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