Marvin  10041110552D          

 10  8  0  0  0  0            999 V2000
    1.3016   -3.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849   -2.2161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880   -3.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849   -3.0411    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5995   -3.4536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8203   -3.3929    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5348   -2.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2493   -3.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348   -2.9805    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348   -3.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  2   4   1   6  -1
M  END
> <ID>
CHEBI:62982

> <NAME>
ammonium dihydrogen phosphate

> <DEFINITION>
The ammonium salt of phosphoric acid (molar ratio 1:1).

> <STAR>
3

> <SYNONYM>
Primary ammonium phosphate; Phosphoric acid, monoammonium salt; Monobasic ammonium phosphate; monoammonium phosphate; Monoammonium phosphate; Monoammonium orthophosphate; Monoammonium hydrogen phosphate; Monoammonium dihydrogen phosphate; Monoammonium dihydrogen orthophosphate; Monoammonium acid phosphate; Dihydrogen ammonium phosphate; Ammonium orthophosphate dihydrogen; Ammonium monophosphate; Ammonium monobasic phosphate; Ammonium dihydrophosphate; Ammonium dihydrogen orthophosphate; Ammonium diacid phosphate; Ammonium biphosphate; Ammonium acid phosphate

> <IUPAC_NAME>
ammonium dihydrogen phosphate

> <FORMULA>
H6NO4P

> <MASS>
115.02570

> <MONOISOTOPIC_MASS>
115.00344

> <CHARGE>
0

> <SMILES>
[H][N+]([H])([H])[H].OP(O)([O-])=O

> <INCHI>
InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)

> <INCHIKEY>
LFVGISIMTYGQHF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
7722-76-1

> <REAXYS_REGISTRY_NUMBER>
11461082

> <CHEMIDPLUS>
7722-76-1

> <PUBMED_CITATION>
18585075; 20338805

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