CID 53478086

1-oleoyl-2-myristoyl-sn-glycerol

Structural Information

Molecular Formula
C35H66O5
SMILES
CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,33,36H,3-15,18-32H2,1-2H3/b17-16-/t33-/m0/s1
InChIKey
HMLMESHNDWTNJR-ASUORMEESA-N
Compound name
[(2S)-3-hydroxy-2-tetradecanoyloxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

566.491 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.49828 253.8
[M+Na]+ 589.48022 254.7
[M+NH4]+ 584.52482 254.5
[M+K]+ 605.45416 254.2
[M-H]- 565.48372 240.0
[M+Na-2H]- 587.46567 253.2
[M]+ 566.49045 250.2
[M]- 566.49155 250.2
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

patents stripe