CID 52927437

Pg(18:2(9z,12z)/0:0)

Structural Information

Molecular Formula
C24H45O9P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C24H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h6-7,9-10,22-23,25-27H,2-5,8,11-21H2,1H3,(H,29,30)/b7-6-,10-9-/t22-,23+/m0/s1
InChIKey
VEEHTGYBVMTAAF-RFFZIGDUSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

508.28012 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.28740 221.4
[M+Na]+ 531.26934 223.5
[M+NH4]+ 526.31394 224.9
[M+K]+ 547.24328 221.6
[M-H]- 507.27284 215.6
[M+Na-2H]- 529.25479 225.3
[M]+ 508.27957 220.1
[M]- 508.28067 220.1
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

patents stripe