CID 52927346

Pg(p-16:0/15:1(9z))

Structural Information

Molecular Formula
C37H71O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C37H71O9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-43-33-36(34-45-47(41,42)44-32-35(39)31-38)46-37(40)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,28,30,35-36,38-39H,3-11,13,15-27,29,31-34H2,1-2H3,(H,41,42)/b14-12-,30-28-/t35-,36+/m0/s1
InChIKey
SQWCOSHISYGGTQ-HJEHDMOGSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

690.4836 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.49088 268.1
[M+Na]+ 713.47282 267.8
[M-H]- 689.47632 257.9
[M+NH4]+ 708.51742 270.6
[M+K]+ 729.44676 269.5
[M+H-H2O]+ 673.48086 257.4
[M+HCOO]- 735.48180 268.4
[M+CH3COO]- 749.49745 271.6
[M+Na-2H]- 711.45827 246.5
[M]+ 690.48305 265.5
[M]- 690.48415 265.5
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.