Marvin  04250611182D          

 23 25  0  0  1  0            999 V2000
    0.1069    0.0916    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1069   -1.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3780   -0.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -0.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8916   -0.1634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5590    0.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    0.8762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9326    1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9326    1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    2.2111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369    1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    0.7186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3616    1.9561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3616    1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    3.1936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -2.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4354   -2.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590   -1.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840   -0.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840   -2.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840   -1.4733    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.2090   -1.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  2 17  1  1  0  0  0
  5  4  1  0  0  0  0
  4 19  1  6  0  0  0
  5  6  1  6  0  0  0
  8  7  1  0  0  0  0
 11  7  1  0  0  0  0
  9  8  1  0  0  0  0
 13  8  2  0  0  0  0
 12  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 16 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  2  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <ID>
CHEBI:28931

> <NAME>
3'-AMP

> <DEFINITION>
An adenosine 3'-phosphate with a monophosphate group at the 3'-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40872; CHEBI:1333; CHEBI:22241

> <SYNONYM>
synadenylic acid; AMP 3'-phosphate; Adenosine-3'-monophosphate; Adenosine 3'-phosphate; adenosine 3'-monophosphate; 3'-AMP; 3'-Adenylic acid; 3'-Adenosine monophosphate

> <IUPAC_NAME>
3'-adenylic acid

> <FORMULA>
C10H14N5O7P

> <MASS>
347.22142

> <MONOISOTOPIC_MASS>
347.06308

> <CHARGE>
0

> <SMILES>
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O

> <INCHI>
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHIKEY>
LNQVTSROQXJCDD-KQYNXXCUSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
54478

> <CAS_REGISTRY_NUMBER>
84-21-9

> <GMELIN_REGISTRY_NUMBER>
905125

> <REAXYS_REGISTRY_NUMBER>
54478

> <CHEMIDPLUS>
84-21-9

> <KEGG_COMPOUND_ACCESSION>
C01367

> <KNAPSACK_ACCESSION>
C00019350

> <PDBECHEM_ACCESSION>
3AM

> <PUBMED_CITATION>
18544912; 21622827; 23759508

$$$$