CID 15942876

1-deoxy-d-altro-heptulose 7-phosphate(2-)

Structural Information

Molecular Formula
C7H15O9P
SMILES
CC(=O)[C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C7H15O9P/c1-3(8)5(10)7(12)6(11)4(9)2-16-17(13,14)15/h4-7,9-12H,2H2,1H3,(H2,13,14,15)/t4-,5-,6-,7+/m1/s1
InChIKey
QIIZYFWCULOBMW-GBNDHIKLSA-N
Compound name
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxoheptyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

274.04538 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05266 157.7
[M+Na]+ 297.03460 160.1
[M-H]- 273.03810 148.2
[M+NH4]+ 292.07920 158.8
[M+K]+ 313.00854 161.5
[M+H-H2O]+ 257.04264 151.0
[M+HCOO]- 319.04358 161.0
[M+CH3COO]- 333.05923 185.4
[M+Na-2H]- 295.02005 153.5
[M]+ 274.04483 157.2
[M]- 274.04593 157.2
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

patents stripe