CID 52922792

Pc(18:3(6z,9z,12z)/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C44H75NO8P
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,42H,6-8,10,12-13,18-19,24-25,30-41H2,1-5H3/p+1/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t42-/m1/s1
InChIKey
JNBUIARSEVAUBG-QZGCNTFXSA-O
Compound name
2-[hydroxy-[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

776.523 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 777.53028 279.9
[M+Na]+ 799.51222 283.4
[M+NH4]+ 794.55682 256.8
[M+K]+ 815.48616 291.2
[M-H]- 775.51572 275.1
[M+Na-2H]- 797.49767 268.9
[M]+ 776.52245 280.8
[M]- 776.52355 280.8
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.