CID 86289325

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

Structural Information

Molecular Formula
C37H72O5
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)C
InChI
InChI=1S/C37H72O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-40-33-36(42-35(3)38)34-41-37(39)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36H,4-34H2,1-3H3/t36-/m1/s1
InChIKey
AHYRTHPOYQENFP-PSXMRANNSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.53796 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.54524 264.3
[M+Na]+ 619.52718 264.4
[M+NH4]+ 614.57178 265.7
[M+K]+ 635.50112 264.6
[M-H]- 595.53068 248.8
[M+Na-2H]- 617.51263 262.6
[M]+ 596.53741 260.4
[M]- 596.53851 260.4
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.