CID 131801846

1-myristoleoyl-3-vaccenoyl-sn-glycerol

Structural Information

Molecular Formula
C35H64O5
SMILES
CCCCCCCC/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)O
InChI
InChI=1S/C35H64O5/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/h13,15,21,23,33,36H,3-12,14,16-20,22,24-32H2,1-2H3/b15-13-,23-21-/t33-/m1/s1
InChIKey
KPFFTBXMWFHOAS-JBCKWNLESA-N
Compound name
[(2S)-2-hydroxy-3-[(Z)-tetradec-5-enoyl]oxypropyl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

564.4754 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.48268 251.4
[M+Na]+ 587.46462 252.8
[M+NH4]+ 582.50922 252.0
[M+K]+ 603.43856 252.2
[M-H]- 563.46812 238.4
[M+Na-2H]- 585.45007 251.2
[M]+ 564.47485 248.1
[M]- 564.47595 248.1
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.