CID 10171586

Glutamylglutamine

Structural Information

Molecular Formula
C10H17N3O6
SMILES
C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
MGHKSHCBDXNTHX-WDSKDSINSA-N
Compound name
(4S)-4-amino-5-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

508
Patents

275.11172 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11900 162.1
[M+Na]+ 298.10094 162.5
[M+NH4]+ 293.14554 162.7
[M+K]+ 314.07488 164.8
[M-H]- 274.10444 156.2
[M+Na-2H]- 296.08639 157.7
[M]+ 275.11117 159.1
[M]- 275.11227 159.1
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