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 261.1
[M+Na]+ 619.52718 266.5
[M-H]- 595.53068 246.9
[M+NH4]+ 614.57178 265.3
[M+K]+ 635.50112 268.4
[M+H-H2O]+ 579.53522 262.3
[M+HCOO]- 641.53616 264.2
[M+CH3COO]- 655.55181 266.2
[M+Na-2H]- 617.51263 245.0
[M]+ 596.53741 262.0
[M]- 596.53851 262.0
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.