CID 91819877

Glutathione s-sulfinate(2-)

Structural Information

Molecular Formula
C10H17N3O8S2
SMILES
C(CC(=O)N[C@@H](CSS(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H17N3O8S2/c11-5(10(18)19)1-2-7(14)13-6(4-22-23(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
QUBUTNSZZFICHL-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfinosulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

371.04572 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05300 176.7
[M+Na]+ 394.03494 174.5
[M-H]- 370.03844 169.5
[M+NH4]+ 389.07954 183.6
[M+K]+ 410.00888 172.4
[M+H-H2O]+ 354.04298 168.4
[M+HCOO]- 416.04392 180.3
[M+CH3COO]- 430.05957 213.6
[M+Na-2H]- 392.02039 170.9
[M]+ 371.04517 175.7
[M]- 371.04627 175.7
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.