CID 52928768

Pa(15:1(9z)/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C36H61O8P
SMILES
CCCCC/C=C\CCCCCCCC(=O)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/C36H61O8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,21,23,34H,3-4,6,8-10,15-16,19-20,22,24-33H2,1-2H3,(H2,39,40,41)/b7-5-,13-11-,14-12-,18-17-,23-21-/t34-/m1/s1
InChIKey
BBXRCOKKGJSOPR-XCBXEXRBSA-N
Compound name
[(2R)-1-[(Z)-pentadec-9-enoyl]oxy-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

652.4104 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.41768 254.8
[M+Na]+ 675.39962 258.9
[M-H]- 651.40312 248.3
[M+NH4]+ 670.44422 260.4
[M+K]+ 691.37356 258.3
[M+H-H2O]+ 635.40766 245.7
[M+HCOO]- 697.40860 260.8
[M+CH3COO]- 711.42425 264.1
[M+Na-2H]- 673.38507 236.9
[M]+ 652.40985 252.2
[M]- 652.41095 252.2
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.