CID 52924443

Pe(18:4(6z,9z,12z,15z)/15:0)

Structural Information

Molecular Formula
C38H68NO8P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN
InChI
InChI=1S/C38H68NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21-22,36H,3-4,6,8-10,12,14-16,19-20,23-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-,22-21-/t36-/m1/s1
InChIKey
PBOPVGIDQCTEPL-GMHWVZMWSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentadecanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

697.46826 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 698.47554 265.6
[M+Na]+ 720.45748 270.4
[M+NH4]+ 715.50208 270.5
[M+K]+ 736.43142 270.1
[M-H]- 696.46098 258.7
[M+Na-2H]- 718.44293 267.0
[M]+ 697.46771 265.2
[M]- 697.46881 265.2
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.