CID 440236

N-acetyl-l-glutamyl 5-phosphate

Structural Information

Molecular Formula
C7H12NO8P
SMILES
CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O
InChI
InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1
InChIKey
FCVIHFVSXHOPSW-YFKPBYRVSA-N
Compound name
(2S)-2-acetamido-5-oxo-5-phosphonooxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

300
Patents

269.03006 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03734 153.9
[M+Na]+ 292.01928 157.9
[M-H]- 268.02278 148.7
[M+NH4]+ 287.06388 165.2
[M+K]+ 307.99322 159.1
[M+H-H2O]+ 252.02732 146.6
[M+HCOO]- 314.02826 170.1
[M+CH3COO]- 328.04391 190.6
[M+Na-2H]- 290.00473 152.7
[M]+ 269.02951 155.9
[M]- 269.03061 155.9
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