CID 14128697

Glutathione palmitamide

Structural Information

Molecular Formula
C26H47N3O7S
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
InChI
InChI=1S/C26H47N3O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(30)28-20(26(35)36)16-17-23(31)29-21(19-37)25(34)27-18-24(32)33/h20-21,37H,2-19H2,1H3,(H,27,34)(H,28,30)(H,29,31)(H,32,33)(H,35,36)/t20-,21-/m0/s1
InChIKey
OPZUFCSODCAIIR-SFTDATJTSA-N
Compound name
(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

545.3135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.32078 248.5
[M+Na]+ 568.30272 260.2
[M+NH4]+ 563.34732 255.1
[M+K]+ 584.27666 254.7
[M-H]- 544.30622 251.8
[M+Na-2H]- 566.28817 254.5
[M]+ 545.31295 251.7
[M]- 545.31405 251.7
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

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