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

141
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 178.5
[M+Na]+ 392.99584 175.4
[M-H]- 368.99934 182.7
[M+NH4]+ 388.04044 177.6
[M+K]+ 408.96978 167.3
[M+H-H2O]+ 353.00388 158.3
[M+HCOO]- 415.00482 177.4
[M+CH3COO]- 429.02047 198.4
[M+Na-2H]- 390.98129 163.1
[M]+ 370.00607 172.2
[M]- 370.00717 172.2
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.