Ketcher 03171616242D 1   1.00000     0.00000     0

 23 25  0     1  0            999 V2000
    9.3306   -1.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   -2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   -2.6798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645   -3.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   -4.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966   -3.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966   -2.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1476   -2.3709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7355   -3.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1476   -3.9889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4567   -4.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8688   -5.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4566   -6.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4076   -6.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -6.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4078   -5.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -4.6613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1475   -7.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -9.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -8.0092    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -7.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155   -7.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1475   -7.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  2  7  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  6 10  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 11 10  1  1     0  0
 11 12  1  0     0  0
 11 16  1  0     0  0
 12 13  1  0     0  0
 13 23  1  1     0  0
 13 14  1  0     0  0
 14 15  1  6     0  0
 14 16  1  0     0  0
 16 17  1  6     0  0
 18 20  1  0     0  0
 20 19  2  0     0  0
 20 22  1  0     0  0
 20 21  1  0     0  0
 23 18  1  0     0  0
M  END
> <ID>
CHEBI:16771

> <NAME>
adenosine 5'-phosphoramidate

> <DEFINITION>
The phosphoramadite analogue of AMP.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22246; CHEBI:2477; CHEBI:13737

> <SYNONYM>
AMP-NH2; Adenosine 5'-phosphoramidate

> <IUPAC_NAME>
adenosine 5'-(hydrogen phosphoramidate)

> <FORMULA>
C10H15N6O6P

> <MASS>
346.237

> <MONOISOTOPIC_MASS>
346.07907

> <CHARGE>
0

> <SMILES>
NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(N)O)[C@@H](O)[C@H]3O

> <INCHI>
InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHIKEY>
LDEMREUBLBGZBO-KQYNXXCUSA-N

> <CAS_REGISTRY_NUMBER>
6154-31-0

> <REAXYS_REGISTRY_NUMBER>
54615

> <CHEMIDPLUS>
6154-31-0

> <KEGG_COMPOUND_ACCESSION>
C03851

> <METACYC_ACCESSION>
CPD-487

$$$$