CID 135412779

N(6)-(pyridoxal phosphate)-l-lysine

Structural Information

Molecular Formula
C14H22N3O7P
SMILES
CC1=NC=C(C(=C1O)C=NCCCC[C@@H](C(=O)O)N)COP(=O)(O)O
InChI
InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1
InChIKey
YQSOQJORMNSDJL-LBPRGKRZSA-N
Compound name
(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

375.11954 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12682 185.1
[M+Na]+ 398.10876 188.6
[M-H]- 374.11226 181.6
[M+NH4]+ 393.15336 193.1
[M+K]+ 414.08270 187.3
[M+H-H2O]+ 358.11680 175.1
[M+HCOO]- 420.11774 206.8
[M+CH3COO]- 434.13339 216.8
[M+Na-2H]- 396.09421 182.8
[M]+ 375.11899 187.2
[M]- 375.12009 187.2
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