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
2
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 267.8
[M+Na]+ 759.56712 268.6
[M-H]- 735.57062 261.2
[M+NH4]+ 754.61172 272.8
[M+K]+ 775.54106 273.3
[M+H-H2O]+ 719.57516 252.2
[M+HCOO]- 781.57610 273.2
[M+CH3COO]- 795.59175 287.9
[M+Na-2H]- 757.55257 246.9
[M]+ 736.57735 269.4
[M]- 736.57845 269.4
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.