CID 53480044

Gpetn(24:1/24:0)

Structural Information

Molecular Formula
C53H104NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C53H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,51H,3-16,18,20-50,54H2,1-2H3,(H,57,58)/b19-17-/t51-/m1/s1
InChIKey
JZXSVMHUXKEUFV-BZVMUSGZSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

913.74994 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 914.75722 319.6
[M+Na]+ 936.73916 321.5
[M+NH4]+ 931.78376 324.0
[M+K]+ 952.71310 324.5
[M-H]- 912.74266 305.4
[M+Na-2H]- 934.72461 315.0
[M]+ 913.74939 317.3
[M]- 913.75049 317.3
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.