CID 124886

Glutathione

Structural Information

Molecular Formula
C10H17N3O6S
SMILES
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
RWSXRVCMGQZWBV-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

100978
References

69900
Patents

307.0838 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09108 168.7
[M+Na]+ 330.07302 169.0
[M-H]- 306.07652 164.3
[M+NH4]+ 325.11762 179.8
[M+K]+ 346.04696 168.4
[M+H-H2O]+ 290.08106 161.1
[M+HCOO]- 352.08200 180.6
[M+CH3COO]- 366.09765 206.4
[M+Na-2H]- 328.05847 163.5
[M]+ 307.08325 167.6
[M]- 307.08435 167.6
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.