CID 131801874

1-palmitoleoyl-3-g-linolenoyl-sn-glycerol

Structural Information

Molecular Formula
C37H64O5
SMILES
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,35,38H,3-10,12,14-16,20,23,25-34H2,1-2H3/b13-11-,18-17-,21-19-,24-22-/t35-/m1/s1
InChIKey
XZSLGDUWWJDYCA-COPLAXJCSA-N
Compound name
[(2R)-3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

588.4754 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.48268 253.4
[M+Na]+ 611.46462 255.6
[M+NH4]+ 606.50922 254.0
[M+K]+ 627.43856 255.2
[M-H]- 587.46812 241.4
[M+Na-2H]- 609.45007 253.6
[M]+ 588.47485 250.6
[M]- 588.47595 250.6
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.