CID 5326960

Glutathione sulfinate

Structural Information

Molecular Formula
C10H17N3O8S
SMILES
C(CC(=O)N[C@@H](CS(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1
InChIKey
DMAPAHUEYHXRFI-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfinopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

339.07364 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08092 171.8
[M+Na]+ 362.06286 171.1
[M-H]- 338.06636 165.9
[M+NH4]+ 357.10746 186.5
[M+K]+ 378.03680 171.2
[M+H-H2O]+ 322.07090 164.1
[M+HCOO]- 384.07184 177.6
[M+CH3COO]- 398.08749 209.6
[M+Na-2H]- 360.04831 165.8
[M]+ 339.07309 170.4
[M]- 339.07419 170.4
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