CID 121988

D-glucosamine-6-phosphate

Structural Information

Molecular Formula
C6H14NO8P
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKey
AEJSSXDYDSUOOZ-SLPGGIOYSA-N
Compound name
[(2R,3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

185
References

2519
Patents

259.04572 Da
Monoisotopic Mass

-7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05300 154.6
[M+Na]+ 282.03494 157.3
[M-H]- 258.03844 146.0
[M+NH4]+ 277.07954 166.9
[M+K]+ 298.00888 158.1
[M+H-H2O]+ 242.04298 147.3
[M+HCOO]- 304.04392 172.8
[M+CH3COO]- 318.05957 186.2
[M+Na-2H]- 280.02039 151.4
[M]+ 259.04517 152.8
[M]- 259.04627 152.8
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