CID 86289322

1-palmityl-2-acetyl-3-stearoyl-sn-glycerol

Structural Information

Molecular Formula
C39H76O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCC)OC(=O)C
InChI
InChI=1S/C39H76O5/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-39(41)43-36-38(44-37(3)40)35-42-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h38H,4-36H2,1-3H3/t38-/m1/s1
InChIKey
FDYFIYWWDYCAEH-KXQOOQHDSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.5693 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.57658 268.0
[M+Na]+ 647.55852 273.0
[M-H]- 623.56202 253.0
[M+NH4]+ 642.60312 272.1
[M+K]+ 663.53246 275.7
[M+H-H2O]+ 607.56656 268.9
[M+HCOO]- 669.56750 270.3
[M+CH3COO]- 683.58315 271.7
[M+Na-2H]- 645.54397 251.0
[M]+ 624.56875 268.7
[M]- 624.56985 268.7
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.