ChEBI


 19 18  0  0  1  0  0  0  0  0  1 V2000
   12.7652  -16.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7652  -17.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7652  -19.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7652  -20.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9170  -21.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4352  -16.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0952  -16.4640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4352  -17.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0952  -17.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4352  -19.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0952  -19.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7652  -15.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1262  -15.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7653  -13.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9172  -13.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9173  -11.8523    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.9174  -10.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5873  -11.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2473  -11.8524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  1  6  1  1  0  0  0
  1  7  1  1  0  0  0
  2  8  1  1  0  0  0
  2  9  1  1  0  0  0
  3 10  1  1  0  0  0
  3 11  1  1  0  0  0
  1 12  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:18105

> <NAME>
keto-D-fructose 1-phosphate

> <DEFINITION>
The open chain form of D-fructose 1-phosphate.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12925; CHEBI:4121; CHEBI:5173; CHEBI:20932

> <SYNONYM>
D-Fructose 1-phosphate; 1-O-phosphono-D-fructose

> <IUPAC_NAME>
D-fructose 1-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P

> <MASS>
260.13578

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

> <SMILES>
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O

> <INCHI>
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5-,6-/m1/s1

> <INCHIKEY>
ZKLLSNQJRLJIGT-UYFOZJQFSA-N

> <CAS_REGISTRY_NUMBER>
15978-08-2

> <REAXYS_REGISTRY_NUMBER>
1728987

> <CHEMIDPLUS>
15978-08-2

> <KEGG_COMPOUND_ACCESSION>
C01094

> <PUBMED_CITATION>
2078589; 2197090; 2996495; 5246925

$$$$