CID 164516923

17:0-18:1 pe-d5

Structural Information

Molecular Formula
C40H78NO8P
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C40H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,38H,3-16,18,20-37,41H2,1-2H3,(H,44,45)/b19-17-/t38-/m1/s1/i36D2,37D2,38D
InChIKey
UAKUCJGIIYSFFK-HWRCYQJDSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

736.5779 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.58518 281.5
[M+Na]+ 759.56712 269.3
[M+NH4]+ 754.61172 271.4
[M+K]+ 775.54106 267.3
[M-H]- 735.57062 254.4
[M+Na-2H]- 757.55257 265.5
[M]+ 736.57735 263.8
[M]- 736.57845 263.8
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.