CID 56936638

1-(9z-tetradecenoyl)-2,3-dihexadecanoyl-sn-glycerol

Structural Information

Molecular Formula
C49H92O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,46H,4-14,16-17,19-45H2,1-3H3/b18-15-/t46-/m1/s1
InChIKey
OPBZTUKJUNWBGK-XUZVNQLZSA-N
Compound name
[(2S)-2-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

776.6894 Da
Monoisotopic Mass

19.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 777.69668 303.0
[M+Na]+ 799.67862 302.6
[M+NH4]+ 794.72322 305.3
[M+K]+ 815.65256 305.2
[M-H]- 775.68212 286.8
[M+Na-2H]- 797.66407 298.6
[M]+ 776.68885 299.4
[M]- 776.68995 299.4
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.