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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 162.3
[M+Na]+ 281.07439 166.2
[M-H]- 257.07789 157.0
[M+NH4]+ 276.11899 173.4
[M+K]+ 297.04833 166.4
[M+H-H2O]+ 241.08243 150.4
[M+HCOO]- 303.08337 172.6
[M+CH3COO]- 317.09902 201.6
[M+Na-2H]- 279.05984 157.2
[M]+ 258.08462 153.3
[M]- 258.08572 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.