CID 91819825

1-[18-hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-sn-glycerol 3-phosphate

Structural Information

Molecular Formula
C39H71O10P
SMILES
C(CCCCO)CCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCCO
InChI
InChI=1S/C39H71O10P/c40-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-38(42)47-35-37(36-48-50(44,45)46)49-39(43)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-41/h1-4,10,14,37,40-41H,5-9,11-13,15-36H2,(H2,44,45,46)/b3-1-,4-2-,14-10-/t37-/m1/s1
InChIKey
ZXBGEIHFXPHRJY-NKFDZXFUSA-N
Compound name
[(2R)-2-[(9Z,12Z)-18-hydroxyoctadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] (Z)-18-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

730.4785 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.48578 272.4
[M+Na]+ 753.46772 271.5
[M-H]- 729.47122 263.3
[M+NH4]+ 748.51232 273.9
[M+K]+ 769.44166 273.0
[M+H-H2O]+ 713.47576 260.6
[M+HCOO]- 775.47670 271.8
[M+CH3COO]- 789.49235 274.3
[M+Na-2H]- 751.45317 249.9
[M]+ 730.47795 269.0
[M]- 730.47905 269.0
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.