CID 131801716

1-pentadecanoyl-3-vaccenoyl-sn-glycerol

Structural Information

Molecular Formula
C36H68O5
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)O
InChI
InChI=1S/C36H68O5/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/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13-/t34-/m1/s1
InChIKey
WXJFYUOHPCMUHM-NOLSVFIGSA-N
Compound name
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

580.50665 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.51393 257.2
[M+Na]+ 603.49587 258.0
[M+NH4]+ 598.54047 257.9
[M+K]+ 619.46981 257.7
[M-H]- 579.49937 243.1
[M+Na-2H]- 601.48132 256.3
[M]+ 580.50610 253.5
[M]- 580.50720 253.5
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.