CID 52927350

Pg(p-16:0/17:1(9z))

Structural Information

Molecular Formula
C39H75O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C39H75O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(42)48-38(36-47-49(43,44)46-34-37(41)33-40)35-45-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17,30,32,37-38,40-41H,3-14,16,18-29,31,33-36H2,1-2H3,(H,43,44)/b17-15-,32-30-/t37-,38+/m0/s1
InChIKey
HMNTVPZOWRQZKT-QZDQGYNTSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

718.5149 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.52218 274.7
[M+Na]+ 741.50412 274.1
[M-H]- 717.50762 263.8
[M+NH4]+ 736.54872 277.1
[M+K]+ 757.47806 276.6
[M+H-H2O]+ 701.51216 263.8
[M+HCOO]- 763.51310 274.2
[M+CH3COO]- 777.52875 276.9
[M+Na-2H]- 739.48957 252.3
[M]+ 718.51435 272.2
[M]- 718.51545 272.2
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.