CID 50909833

Fructoselysine 6-phosphate(1-)

Structural Information

Molecular Formula
C12H25N2O10P
SMILES
C(CCNCC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C12H25N2O10P/c13-7(12(19)20)3-1-2-4-14-5-8(15)10(17)11(18)9(16)6-24-25(21,22)23/h7,9-11,14,16-18H,1-6,13H2,(H,19,20)(H2,21,22,23)/t7-,9+,10+,11+/m0/s1
InChIKey
ZICZRZZPXBCXCE-AYHFEMFVSA-N
Compound name
(2S)-2-amino-6-[[(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxyhexyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

388.1247 Da
Monoisotopic Mass

-8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.131976 184.4
[M+Na]+ 411.113918 187.3
[M-H]- 387.117424 189.5
[M+NH4]+ 406.158523 182.5
[M+K]+ 427.087858 179.1
[M+H-H2O]+ 371.121960 172.3
[M+HCOO]- 433.122901 176.8
[M+CH3COO]- 447.138551 213.9
[M+Na-2H]- 409.099366 171.9
[M]+ 388.12415142 173.2
[M]- 388.12524858 173.2
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