CID 52926378

Pg(14:1(9z)/15:1(9z))

Structural Information

Molecular Formula
C35H65O10P
SMILES
CCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C35H65O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35(39)45-33(31-44-46(40,41)43-29-32(37)28-36)30-42-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,32-33,36-37H,3-9,14-31H2,1-2H3,(H,40,41)/b12-10-,13-11-/t32-,33+/m0/s1
InChIKey
BAWDIQRVSWNRPE-XHUFWTAKSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.4315 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.43878 263.3
[M+Na]+ 699.42072 264.0
[M-H]- 675.42422 256.9
[M+NH4]+ 694.46532 268.5
[M+K]+ 715.39466 264.8
[M+H-H2O]+ 659.42876 253.6
[M+HCOO]- 721.42970 262.7
[M+CH3COO]- 735.44535 267.4
[M+Na-2H]- 697.40617 243.2
[M]+ 676.43095 261.3
[M]- 676.43205 261.3
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.