CID 52927212

Pg(20:0/20:1(11z))

Structural Information

Molecular Formula
C46H89O10P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C46H89O10P/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/h18,20,43-44,47-48H,3-17,19,21-42H2,1-2H3,(H,51,52)/b20-18-/t43-,44+/m0/s1
InChIKey
HUWBGYCLXDBBOD-JKACVENISA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-icos-11-enoyl]oxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

832.6193 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 833.62658 300.6
[M+Na]+ 855.60852 300.0
[M+NH4]+ 850.65312 305.3
[M+K]+ 871.58246 302.8
[M-H]- 831.61202 288.7
[M+Na-2H]- 853.59397 297.4
[M]+ 832.61875 298.3
[M]- 832.61985 298.3
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.