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 270.9
[M+Na]+ 753.46772 272.1
[M+NH4]+ 748.51232 274.3
[M+K]+ 769.44166 273.1
[M-H]- 729.47122 262.0
[M+Na-2H]- 751.45317 270.6
[M]+ 730.47795 269.2
[M]- 730.47905 269.2
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.