CID 52924048

Lysopc(18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C26H47NO7P
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C26H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,15-16,25,28H,5,8,11,14,17-24H2,1-4H3/p+1/b7-6-,10-9-,13-12-,16-15-/t25-/m1/s1
InChIKey
RVSJNDKZLRQIIG-VDNIJTNNSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

516.309 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.31628 224.4
[M+Na]+ 539.29822 229.5
[M-H]- 515.30172 223.3
[M+NH4]+ 534.34282 229.2
[M+K]+ 555.27216 224.2
[M+H-H2O]+ 499.30626 209.6
[M+HCOO]- 561.30720 238.6
[M+CH3COO]- 575.32285 235.4
[M+Na-2H]- 537.28367 210.2
[M]+ 516.30845 220.2
[M]- 516.30955 220.2
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.