CID 52929670

Pa(p-16:0/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C37H65O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C37H65O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,31,33,36H,3-4,6,8-10,12,14-16,18,20-21,23,25-30,32,34-35H2,1-2H3,(H2,39,40,41)/b7-5-,13-11-,19-17-,24-22-,33-31-/t36-/m1/s1
InChIKey
KFQZKRVSCCEOAQ-LVDJGFSASA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.4468 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.45408 256.4
[M+Na]+ 675.43602 259.7
[M-H]- 651.43952 246.6
[M+NH4]+ 670.48062 259.3
[M+K]+ 691.40996 259.6
[M+H-H2O]+ 635.44406 246.5
[M+HCOO]- 697.44500 263.7
[M+CH3COO]- 711.46065 265.8
[M+Na-2H]- 673.42147 237.5
[M]+ 652.44625 253.3
[M]- 652.44735 253.3
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.