CID 131823271

Pg(a-13:0/a-15:0)

Structural Information

Molecular Formula
C34H67O10P
SMILES
CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C34H67O10P/c1-5-29(3)21-17-13-9-7-8-10-16-20-24-34(38)44-32(28-43-45(39,40)42-26-31(36)25-35)27-41-33(37)23-19-15-12-11-14-18-22-30(4)6-2/h29-32,35-36H,5-28H2,1-4H3,(H,39,40)/t29?,30?,31-,32+/m0/s1
InChIKey
OIMPHTHCOXQAAQ-VJUQQTGUSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

666.4472 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.45448 263.7
[M+Na]+ 689.43642 263.8
[M+NH4]+ 684.48102 270.5
[M+K]+ 705.41036 264.6
[M-H]- 665.43992 257.5
[M+Na-2H]- 687.42187 264.7
[M]+ 666.44665 262.8
[M]- 666.44775 262.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.