Marvin  08151211162D          

 13 11  0  0  0  0            999 V2000
    0.6714    2.9536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3859    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7573    2.1286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    2.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    2.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6877    1.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    4.4091    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    5.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    3.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    3.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963    3.6288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
> <ID>
CHEBI:67098

> <NAME>
tris phosphate

> <DEFINITION>
A phosphate salt resulting from the reaction of equimolar amounts of tris and phosphoric acid.

> <STAR>
3

> <SYNONYM>
mono(tris[hydroxymethyl]aminomethane) phosphate; (2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)ammonium dihydrogen phosphate

> <IUPAC_NAME>
2-amino-2-(hydroxymethyl)propane-1,3-diol phosphate; 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium dihydrogen phosphate

> <FORMULA>
C4H14NO7P

> <MASS>
219.13020

> <MONOISOTOPIC_MASS>
219.05079

> <CHARGE>
0

> <SMILES>
OP(O)(O)=O.NC(CO)(CO)CO

> <INCHI>
InChI=1S/C4H11NO3.H3O4P/c5-4(1-6,2-7)3-8;1-5(2,3)4/h6-8H,1-3,5H2;(H3,1,2,3,4)

> <INCHIKEY>
JLEXUIVKURIPFI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6992-39-8

> <CHEMIDPLUS>
6992-39-8

> <PUBMED_CITATION>
20801329; 21181467; 21482305; 21688277; 22497835; 22727606

$$$$