CID 137553782

L-gamma-glutamyl-(3r)-l-beta-ethynylserine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₆

SMILES

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

InChI

InChI=1S/C10H14N2O6/c1-2-6(13)8(10(17)18)12-7(14)4-3-5(11)9(15)16/h1,5-6,8,13H,3-4,11H2,(H,12,14)(H,15,16)(H,17,18)/t5-,6+,8-/m0/s1

InChIKey

KTLVUFLBLWWBNE-BBVRLYRLSA-N

Compound name

(2S)-2-amino-5-[[(1S,2R)-1-carboxy-2-hydroxybut-3-ynyl]amino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.08517 Da
Monoisotopic Mass: -4.7
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]+	259.092446	162.3
[M+Na]+	281.074388	166.2
[M-H]-	257.077894	157.0
[M+NH4]+	276.118993	173.4
[M+K]+	297.048328	166.4
[M+H-H2O]+	241.082430	150.4
[M+HCOO]-	303.083371	172.6
[M+CH3COO]-	317.099021	201.6
[M+Na-2H]-	279.059836	157.2
[M]+	258.08462142	153.3
[M]-	258.08571858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.