CID 52926574

Pg(18:0/14:1(9z))

Structural Information

Molecular Formula
C38H73O10P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,35-36,39-40H,3-9,11,13-34H2,1-2H3,(H,43,44)/b12-10-/t35-,36+/m0/s1
InChIKey
ZZGDZPQJAMVOPC-PTINEBJGSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.49414 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.50142 275.4
[M+Na]+ 743.48336 275.0
[M-H]- 719.48686 267.0
[M+NH4]+ 738.52796 280.3
[M+K]+ 759.45730 277.5
[M+H-H2O]+ 703.49140 265.4
[M+HCOO]- 765.49234 272.8
[M+CH3COO]- 779.50799 276.6
[M+Na-2H]- 741.46881 253.6
[M]+ 720.49359 273.9
[M]- 720.49469 273.9
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.