CID 52927360

Pg(p-16:0/20:2(11z,14z))

Structural Information

Molecular Formula
C42H79O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C42H79O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(45)51-41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,33,35,40-41,43-44H,3-10,12,14-16,18,20-32,34,36-39H2,1-2H3,(H,46,47)/b13-11-,19-17-,35-33-/t40-,41+/m0/s1
InChIKey
CEQSSLALZUCCLO-IVGMWLHBSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.54614 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.55342 282.2
[M+Na]+ 781.53536 281.7
[M-H]- 757.53886 270.9
[M+NH4]+ 776.57996 284.9
[M+K]+ 797.50930 285.0
[M+H-H2O]+ 741.54340 271.1
[M+HCOO]- 803.54434 281.4
[M+CH3COO]- 817.55999 283.7
[M+Na-2H]- 779.52081 259.1
[M]+ 758.54559 279.8
[M]- 758.54669 279.8
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.