CID 131755532

Tg(16:0/18:3(9z,12z,15z)/22:0)

Structural Information

Molecular Formula
C59H108O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-55H2,1-3H3/b11-8-,20-17-,31-26-/t56-/m0/s1
InChIKey
FWKCOGXWWVMSPZ-ODYOSRGNSA-N
Compound name
[(2S)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

912.8146 Da
Monoisotopic Mass

24.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.82188 330.6
[M+Na]+ 935.80382 330.2
[M+NH4]+ 930.84842 332.6
[M+K]+ 951.77776 334.5
[M-H]- 911.80732 312.8
[M+Na-2H]- 933.78927 324.0
[M]+ 912.81405 326.9
[M]- 912.81515 326.9
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.