CID 131801877

1-palmitoleoyl-3-arachidonoyl-sn-glycerol

Structural Information

Molecular Formula
C39H66O5
SMILES
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20-23,26,28,37,40H,3-10,12,14-16,19,24-25,27,29-36H2,1-2H3/b13-11-,18-17-,22-20-,23-21-,28-26-/t37-/m1/s1
InChIKey
JWCNGONSUJKGDO-HKHOLRNYSA-N
Compound name
[(2R)-3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

614.491 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.49828 258.0
[M+Na]+ 637.48022 260.4
[M+NH4]+ 632.52482 258.4
[M+K]+ 653.45416 260.3
[M-H]- 613.48372 246.0
[M+Na-2H]- 635.46567 257.9
[M]+ 614.49045 255.3
[M]- 614.49155 255.3
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.