CID 52927221

Pg(18:1(9z)/20:1(11z))

Structural Information

Molecular Formula
C44H83O10P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C44H83O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,41-42,45-46H,3-16,20,22-40H2,1-2H3,(H,49,50)/b19-17-,21-18-/t41-,42+/m0/s1
InChIKey
IMCUMKCJDBGHKN-CJIQRTRDSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

802.5724 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.57968 292.2
[M+Na]+ 825.56162 292.3
[M+NH4]+ 820.60622 297.0
[M+K]+ 841.53556 294.5
[M-H]- 801.56512 281.8
[M+Na-2H]- 823.54707 290.1
[M]+ 802.57185 290.3
[M]- 802.57295 290.3
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.