CID 52927344

Pg(p-16:0/14:1(9z))

Structural Information

Molecular Formula
C36H69O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C36H69O9P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-42-32-35(33-44-46(40,41)43-31-34(38)30-37)45-36(39)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,27,29,34-35,37-38H,3-9,11,13-26,28,30-33H2,1-2H3,(H,40,41)/b12-10-,29-27-/t34-,35+/m0/s1
InChIKey
UERLHGISINMPNT-ADWHDFFQSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

676.4679 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.47518 264.7
[M+Na]+ 699.45712 264.7
[M-H]- 675.46062 255.0
[M+NH4]+ 694.50172 267.3
[M+K]+ 715.43106 266.0
[M+H-H2O]+ 659.46516 254.2
[M+HCOO]- 721.46610 265.4
[M+CH3COO]- 735.48175 268.9
[M+Na-2H]- 697.44257 243.6
[M]+ 676.46735 262.1
[M]- 676.46845 262.1
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

patents stripe