CID 65254

Gamma-glutamyllysine

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₅

SMILES

C(CCN)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-9(15)5-4-7(13)10(16)17/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1

InChIKey

LNLLNTMHVMIMOG-YUMQZZPRSA-N

Compound name

(2S)-6-amino-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 376
Patents: 275.14813 Da
Monoisotopic Mass: -6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.15541	165.3
[M+Na]+	298.13735	166.4
[M-H]-	274.14085	160.9
[M+NH4]+	293.18195	177.7
[M+K]+	314.11129	166.2
[M+H-H2O]+	258.14539	158.2
[M+HCOO]-	320.14633	182.9
[M+CH3COO]-	334.16198	203.5
[M+Na-2H]-	296.12280	161.1
[M]+	275.14758	161.7
[M]-	275.14868	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe