Marvin  10271011582D          

 11 10  0  0  0  0            999 V2000
    5.3211   -6.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355   -6.5379    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6066   -6.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6230   -5.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4480   -7.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -6.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8921   -6.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777   -6.5379    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652   -7.2524    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5902   -5.8234    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4632   -6.1254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  CHG  3   2   1   9  -1  10  -1
M  END
> <ID>
CHEBI:295975

> <NAME>
choline phosphate(1-)

> <DEFINITION>
The organophosphate oxoanion formed from choline by removal of two protons from the phosphate group. Major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
phosphocholine; 2-(trimethylammonio)ethyl phosphate

> <IUPAC_NAME>
2-(trimethylazaniumyl)ethyl phosphate

> <FORMULA>
C5H13NO4P

> <MASS>
182.13480

> <MONOISOTOPIC_MASS>
182.05877

> <CHARGE>
-1

> <SMILES>
C[N+](C)(C)CCOP([O-])([O-])=O

> <INCHI>
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1

> <INCHIKEY>
YHHSONZFOIEMCP-UHFFFAOYSA-M

> <PUBMED_CITATION>
9357523

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