CID 131758192

Tracylglycerol(24:0/24:1/24:1)

Structural Information

Molecular Formula
C75H142O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C75H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,72H,4-24,26,29,31-71H2,1-3H3/b28-25-,30-27-/t72-/m1/s1
InChIKey
NMCMTLDZXGQMQI-VOKRDIKGSA-N
Compound name
[(2S)-2,3-bis[[(Z)-tetracos-15-enoyl]oxy]propyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1139.0807 Da
Monoisotopic Mass

33.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1140.0880 377.8
[M+Na]+ 1162.0699 375.4
[M+NH4]+ 1157.1145 379.4
[M+K]+ 1178.0439 383.0
[M-H]- 1138.0734 354.3
[M+Na-2H]- 1160.0554 366.2
[M]+ 1139.0802 372.8
[M]- 1139.0812 372.8
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

No patent data available for this compound.