CID 131820151

Pe-nme(15:0/22:6(4z,7z,10z,13z,16z,19z))

Structural Information

Molecular Formula
C43H74NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H74NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44-3)39-49-42(45)35-33-31-29-27-25-17-15-13-11-9-7-5-2/h6,8,12,14,18-19,21-22,24,26,30,32,41,44H,4-5,7,9-11,13,15-17,20,23,25,27-29,31,33-40H2,1-3H3,(H,47,48)/b8-6-,14-12-,19-18-,22-21-,26-24-,32-30-
InChIKey
CSOIXXBOUKQVKH-KCXZDQOBSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

763.5152 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.52248 283.0
[M+Na]+ 786.50442 288.0
[M+NH4]+ 781.54902 288.0
[M+K]+ 802.47836 288.3
[M-H]- 762.50792 275.8
[M+Na-2H]- 784.48987 283.3
[M]+ 763.51465 282.9
[M]- 763.51575 282.9
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.