CID 52927125

Pg(20:1(11z)/20:1(11z))

Structural Information

Molecular Formula
C46H87O10P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C46H87O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44,47-48H,3-16,21-42H2,1-2H3,(H,51,52)/b19-17-,20-18-/t43-,44+/m0/s1
InChIKey
FJCKPOQEWGIRIH-IRBQAAIDSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-icos-11-enoyl]oxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

830.6037 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 831.61098 298.6
[M+Na]+ 853.59292 298.5
[M+NH4]+ 848.63752 303.4
[M+K]+ 869.56686 301.2
[M-H]- 829.59642 287.6
[M+Na-2H]- 851.57837 295.9
[M]+ 830.60315 296.7
[M]- 830.60425 296.7
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.