CID 131758359

Tracylglycerol(24:0/22:4/24:1)

Structural Information

Molecular Formula
C73H132O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,43,49,52,70H,4-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b21-18-,28-25-,30-27-,43-38-,52-49-/t70-/m1/s1
InChIKey
AIUAXCGIPSDGIC-BBRRZZSNSA-N
Compound name
[(2S)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1105.0024 Da
Monoisotopic Mass

29.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1106.0097 358.4
[M+Na]+ 1127.9916 361.7
[M-H]- 1103.9951 338.4
[M+NH4]+ 1123.0362 366.9
[M+K]+ 1143.9656 375.8
[M+H-H2O]+ 1087.9997 357.7
[M+HCOO]- 1150.0006 351.5
[M+CH3COO]- 1164.0163 351.4
[M+Na-2H]- 1125.9771 332.8
[M]+ 1105.0019 362.2
[M]- 1105.0029 362.2
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.