CID 14100099

Dipalmitoyl cystine

Structural Information

Molecular Formula
C38H72N2O6S2
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC)C(=O)O
InChI
InChI=1S/C38H72N2O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(41)39-33(37(43)44)31-47-48-32-34(38(45)46)40-36(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,39,41)(H,40,42)(H,43,44)(H,45,46)/t33-,34-/m0/s1
InChIKey
JIUGOZSZLYKDDH-HEVIKAOCSA-N
Compound name
(2R)-3-[[(2R)-2-carboxy-2-(hexadecanoylamino)ethyl]disulfanyl]-2-(hexadecanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

716.48315 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.49043 295.3
[M+Na]+ 739.47237 305.6
[M+NH4]+ 734.51697 300.0
[M+K]+ 755.44631 300.2
[M-H]- 715.47587 289.6
[M+Na-2H]- 737.45782 295.6
[M]+ 716.48260 296.1
[M]- 716.48370 296.1
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

patents stripe