CID 146171610

17:0-16:1 pg-d5

Structural Information

Molecular Formula
C39H75O10P
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C39H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-38(42)46-34-37(35-48-50(44,45)47-33-36(41)32-40)49-39(43)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,36-37,40-41H,3-13,15,17-35H2,1-2H3,(H,44,45)/b16-14-/t36?,37-/m1/s1/i34D2,35D2,37D
InChIKey
MHNGEXBQDYOSOH-CTKPZJSYSA-N
Compound name
[(2R)-1,1,2,3,3-pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

739.5412 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 740.54848 272.7
[M+Na]+ 762.53042 265.9
[M+NH4]+ 757.57502 271.1
[M+K]+ 778.50436 264.8
[M-H]- 738.53392 254.4
[M+Na-2H]- 760.51587 264.7
[M]+ 739.54065 263.0
[M]- 739.54175 263.0
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.