CID 131801736

1-palmitoyl-3-lignoceroyl-sn-glycerol

Structural Information

Molecular Formula
C43H84O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m1/s1
InChIKey
FDYFMUPXONFPMK-VQJSHJPSSA-N
Compound name
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

680.6319 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.63918 282.6
[M+Na]+ 703.62112 282.3
[M+NH4]+ 698.66572 283.1
[M+K]+ 719.59506 283.4
[M-H]- 679.62462 265.4
[M+Na-2H]- 701.60657 279.0
[M]+ 680.63135 278.2
[M]- 680.63245 278.2
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.