CID 131758933

1-myristoleoyl-2-g-linolenoyl-3-myristoleoyl-glycerol

Structural Information

Molecular Formula
C49H84O6
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14-19,23-24,28,31,46H,4-13,20-22,25-27,29-30,32-45H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,31-28-
InChIKey
XCHKWZNNTXOYFH-DLPZANNDSA-N
Compound name
1,3-bis[[(Z)-tetradec-9-enoyl]oxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

768.6268 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.63408 294.8
[M+Na]+ 791.61602 296.2
[M+NH4]+ 786.66062 297.0
[M+K]+ 807.58996 298.4
[M-H]- 767.61952 281.7
[M+Na-2H]- 789.60147 292.1
[M]+ 768.62625 292.3
[M]- 768.62735 292.3
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.