CID 165007

Sedoheptulose 7-phosphate

Structural Information

Molecular Formula
C7H15O10P
SMILES
C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1
InChIKey
JDTUMPKOJBQPKX-GBNDHIKLSA-N
Compound name
[(2R,3R,4R,5S)-2,3,4,5,7-pentahydroxy-6-oxoheptyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

62
References

1879
Patents

290.04028 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04756 159.7
[M+Na]+ 313.02950 159.6
[M+NH4]+ 308.07410 168.7
[M+K]+ 329.00344 162.9
[M-H]- 289.03300 148.5
[M+Na-2H]- 311.01495 152.7
[M]+ 290.03973 155.1
[M]- 290.04083 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe