CID 131800229

Diacylglycerol(15:0/0:0/18:0)

Structural Information

Molecular Formula
C36H70O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)O
InChI
InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m1/s1
InChIKey
LUQKIZTUDZZQSK-UUWRZZSWSA-N
Compound name
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.52234 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.529616 256.7
[M+Na]+ 605.511558 261.2
[M-H]- 581.515064 242.4
[M+NH4]+ 600.556163 258.6
[M+K]+ 621.485498 262.7
[M+H-H2O]+ 565.519600 256.8
[M+HCOO]- 627.520541 258.4
[M+CH3COO]- 641.536191 261.1
[M+Na-2H]- 603.497006 240.2
[M]+ 582.52179142 256.2
[M]- 582.52288858 256.2
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.