CID 52927348

Pg(p-16:0/16:1(9z))

Structural Information

Molecular Formula
C38H73O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C38H73O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44-34-37(35-46-48(42,43)45-33-36(40)32-39)47-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,29,31,36-37,39-40H,3-13,15,17-28,30,32-35H2,1-2H3,(H,42,43)/b16-14-,31-29-/t36-,37+/m0/s1
InChIKey
CIQXNUVMZXADFV-IPHPUKPPSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

704.4992 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.50648 271.4
[M+Na]+ 727.48842 271.0
[M-H]- 703.49192 260.9
[M+NH4]+ 722.53302 273.9
[M+K]+ 743.46236 273.1
[M+H-H2O]+ 687.49646 260.6
[M+HCOO]- 749.49740 271.3
[M+CH3COO]- 763.51305 274.3
[M+Na-2H]- 725.47387 249.4
[M]+ 704.49865 268.9
[M]- 704.49975 268.9
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.