CID 52922866

Pc(18:3(9z,12z,15z)/20:5(5z,8z,11z,14z,17z))

Structural Information

Molecular Formula
C46H77NO8P
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27,31,33,44H,6-7,12-13,18-19,23,26,28-30,32,34-43H2,1-5H3/p+1/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
InChIKey
QQNHCRBGLPDWEW-LRFGEVPTSA-O
Compound name
2-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

802.5387 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.54598 284.0
[M+Na]+ 825.52792 287.5
[M+NH4]+ 820.57252 261.4
[M+K]+ 841.50186 295.5
[M-H]- 801.53142 248.5
[M+Na-2H]- 823.51337 272.7
[M]+ 802.53815 285.0
[M]- 802.53925 285.0
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.