CID 56936360

1-pentadecanoyl-2-(9z-heptadecenoyl)-sn-glycerol

Structural Information

Molecular Formula
C35H66O5
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h15,17,33,36H,3-14,16,18-32H2,1-2H3/b17-15-/t33-/m0/s1
InChIKey
PDIJTJKTFJOZLO-VMSKIPQCSA-N
Compound name
[(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
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]+ 567.49828 250.9
[M+Na]+ 589.48022 256.2
[M-H]- 565.48372 237.9
[M+NH4]+ 584.52482 253.1
[M+K]+ 605.45416 256.8
[M+H-H2O]+ 549.48826 251.2
[M+HCOO]- 611.48920 253.9
[M+CH3COO]- 625.50485 257.1
[M+Na-2H]- 587.46567 235.4
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.