CID 6439312

All-trans-geranylgeranylcysteine

Structural Information

Molecular Formula
C23H39NO2S
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)N)/C)/C)/C)C
InChI
InChI=1S/C23H39NO2S/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-27-17-22(24)23(25)26/h9,11,13,15,22H,6-8,10,12,14,16-17,24H2,1-5H3,(H,25,26)/b19-11+,20-13+,21-15+/t22-/m0/s1
InChIKey
ZVHYBHXYDZELLD-REPDADMKSA-N
Compound name
(2R)-2-amino-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

222
Patents

393.27014 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.27742 206.4
[M+Na]+ 416.25936 205.1
[M-H]- 392.26286 201.9
[M+NH4]+ 411.30396 216.5
[M+K]+ 432.23330 199.1
[M+H-H2O]+ 376.26740 199.1
[M+HCOO]- 438.26834 213.2
[M+CH3COO]- 452.28399 225.3
[M+Na-2H]- 414.24481 193.9
[M]+ 393.26959 207.5
[M]- 393.27069 207.5
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.