CID 131801759

1-stearoyl-3-myristoleoyl-sn-glycerol

Structural Information

Molecular Formula
C35H66O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C35H66O5/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/h21,23,33,36H,3-20,22,24-32H2,1-2H3/b23-21-/t33-/m0/s1
InChIKey
CDFZYIZFRNOOQS-LTLZSDOPSA-N
Compound name
[(2R)-2-hydroxy-3-[(Z)-tetradec-5-enoyl]oxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.491 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.498276 250.9
[M+Na]+ 589.480218 256.2
[M-H]- 565.483724 237.9
[M+NH4]+ 584.524823 253.1
[M+K]+ 605.454158 256.8
[M+H-H2O]+ 549.488260 251.2
[M+HCOO]- 611.489201 253.9
[M+CH3COO]- 625.504851 257.1
[M+Na-2H]- 587.465666 235.4
[M]+ 566.49045142 250.2
[M]- 566.49154858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.