Marvin  02131315182D          

 25 28  0  0  1  0            999 V2000
    8.6263   -2.4813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6263   -3.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9118   -3.7188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9117   -4.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6262   -4.9563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3407   -4.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3407   -3.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1253   -3.4639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6103   -4.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1253   -4.7988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3802   -5.5834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1871   -5.7550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8280   -6.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4419   -6.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0829   -6.9811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8899   -7.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045   -6.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3664   -7.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5308   -7.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7392   -5.1420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718   -8.0356    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.7238   -7.4226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6197   -8.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5587   -7.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7848   -8.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 10  1  1  0  0  0
 15 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  6  0  0  0
 15 19  1  1  0  0  0
 12 20  1  1  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <ID>
CHEBI:43791

> <NAME>
9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-9H-purin-6-amine

> <DEFINITION>
A nucleoside monophosphate analogue derived from the formal condensation of the N1-nitrogen of adenine with 2,5-anhydro-4-[(phosphonooxy)methyl]-α-L-lyxofuranose.

> <STAR>
3

> <SYNONYM>
[(1R,3R,4R,7S)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate

> <IUPAC_NAME>
9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-9H-purin-6-amine

> <FORMULA>
C11H14N5O7P

> <MASS>
359.23190

> <MONOISOTOPIC_MASS>
359.06308

> <CHARGE>
0

> <SMILES>
[H][C@]12OC[C@](COP(O)(O)=O)(O[C@H]1n1cnc3c(N)ncnc13)[C@H]2O

> <INCHI>
InChI=1S/C11H14N5O7P/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(17)11(23-10,1-21-6)2-22-24(18,19)20/h3-4,6-7,10,17H,1-2H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,10-,11-/m1/s1

> <INCHIKEY>
OBTOXYBRQOXRBH-LRMGWDNHSA-N

> <PDBECHEM_ACCESSION>
LCA

> <PUBMED_CITATION>
17768146; 20530536

$$$$