CID 98046985

1-myristoyl-3-stearoyl-sn-glycerol

Structural Information

Molecular Formula
C35H68O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1
InChIKey
CUNPTVLPBLDLDS-MGBGTMOVSA-N
Compound name
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.50665 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.513926 253.2
[M+Na]+ 591.495868 257.9
[M-H]- 567.499374 239.4
[M+NH4]+ 586.540473 255.2
[M+K]+ 607.469808 259.0
[M+H-H2O]+ 551.503910 253.4
[M+HCOO]- 613.504851 255.4
[M+CH3COO]- 627.520501 258.3
[M+Na-2H]- 589.481316 237.2
[M]+ 568.50610142 252.8
[M]- 568.50719858 252.8
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.