CID 52927341

Pg(p-16:0/12:0)

Structural Information

Molecular Formula
C34H67O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C34H67O9P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-40-30-33(31-42-44(38,39)41-29-32(36)28-35)43-34(37)26-24-22-20-18-12-10-8-6-4-2/h25,27,32-33,35-36H,3-24,26,28-31H2,1-2H3,(H,38,39)/b27-25-/t32-,33+/m0/s1
InChIKey
LYMKAXUAYAJLFF-PFVTWMDXSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.4523 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.45958 260.3
[M+Na]+ 673.44152 260.0
[M-H]- 649.44502 250.5
[M+NH4]+ 668.48612 262.5
[M+K]+ 689.41546 260.9
[M+H-H2O]+ 633.44956 249.9
[M+HCOO]- 695.45050 260.9
[M+CH3COO]- 709.46615 264.7
[M+Na-2H]- 671.42697 239.4
[M]+ 650.45175 257.7
[M]- 650.45285 257.7
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.