CID 131801766

1-stearoyl-3-linoleoyl-sn-glycerol

Structural Information

Molecular Formula
C40H74O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCCC)O
InChI
InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,19,21,38,41H,3-12,14,16-18,20,22-37H2,1-2H3/b15-13-,21-19-/t38-/m1/s1
InChIKey
QTHIFWAMNZHBFZ-UPALSPQFSA-N
Compound name
[(2R)-2-hydroxy-3-octadecanoyloxypropyl] (9Z,12Z)-nonadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

634.55365 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.56093 268.3
[M+Na]+ 657.54287 269.2
[M+NH4]+ 652.58747 268.8
[M+K]+ 673.51681 269.6
[M-H]- 633.54637 253.6
[M+Na-2H]- 655.52832 266.5
[M]+ 634.55310 264.6
[M]- 634.55420 264.6
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.