CID 1193

Sedoheptulose 1,7-bisphosphate

Structural Information

Molecular Formula
C7H16O13P2
SMILES
C(C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C7H16O13P2/c8-3(1-19-21(13,14)15)5(10)7(12)6(11)4(9)2-20-22(16,17)18/h3,5-8,10-12H,1-2H2,(H2,13,14,15)(H2,16,17,18)
InChIKey
OKHXOUGRECCASI-UHFFFAOYSA-N
Compound name
(2,3,4,5-tetrahydroxy-6-oxo-7-phosphonooxyheptyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

140
Patents

370.00662 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01390 167.9
[M+Na]+ 392.99584 170.5
[M+NH4]+ 388.04044 175.1
[M+K]+ 408.96978 167.2
[M-H]- 368.99934 172.7
[M+Na-2H]- 390.98129 178.1
[M]+ 370.00607 169.2
[M]- 370.00717 169.2
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

No patent data available for this compound.