CID 91493

6-phosphogluconic acid

Structural Information

Molecular Formula
C6H13O10P
SMILES
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKey
BIRSGZKFKXLSJQ-SQOUGZDYSA-N
Compound name
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

617
References

6062
Patents

276.02463 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03191 155.3
[M+Na]+ 299.01385 157.4
[M-H]- 275.01735 144.5
[M+NH4]+ 294.05845 156.8
[M+K]+ 314.98779 158.9
[M+H-H2O]+ 259.02189 148.4
[M+HCOO]- 321.02283 159.2
[M+CH3COO]- 335.03848 183.0
[M+Na-2H]- 296.99930 151.3
[M]+ 276.02408 153.9
[M]- 276.02518 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.