Ketcher 01291912112D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
    4.7045   -4.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2044   -4.0240    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.2045   -4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2044   -3.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2044   -5.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045   -5.7560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045   -4.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045   -4.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0     0  0
  4  2  1  0     0  0
  5  2  1  0     0  0
  6  1  1  0     0  0
  1  7  1  0     0  0
  7  8  1  0     0  0
  8  2  1  0     0  0
M  CHG  2   4  -1   6   1
M  END
> <ID>
CHEBI:142996

> <NAME>
(3-aminopropyl)phosphonic acid zwitterion

> <DEFINITION>
A zwitterion resulting from the transfer of a proton from the phosphonic acid group to the amino group of (3-aminopropyl)phosphonic acid; the major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
(3-aminopropyl)phosphonate

> <IUPAC_NAME>
hydrogen (3-azaniumylpropyl)phosphonate; hydrogen (3-ammoniopropyl)phosphonate

> <FORMULA>
C3H10NO3P

> <MASS>
139.090

> <MONOISOTOPIC_MASS>
139.03983

> <CHARGE>
0

> <SMILES>
C([NH3+])CCP(=O)([O-])O

> <INCHI>
InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)

> <INCHIKEY>
GSZQTIFGANBTNF-UHFFFAOYSA-N

> <METACYC_ACCESSION>
CPD0-1077

> <PUBMED_CITATION>
16503658; 23056305

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