CID 53479474

Gpcho(24:0/22:5n3)

Structural Information

Molecular Formula
C54H99NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,31,35,37,52H,6-8,10,12-14,16,18-20,22,24-27,29-30,32-34,36,38-51H2,1-5H3/p+1/b11-9-,17-15-,23-21-,31-28-,37-35-/t52-/m1/s1
InChIKey
UZTHJRIGJWALIL-BGNICSNZSA-O
Compound name
2-[[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-tetracosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

920.7108 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 921.71808 315.6
[M+Na]+ 943.70002 317.6
[M-H]- 919.70352 308.2
[M+NH4]+ 938.74462 325.0
[M+K]+ 959.67396 323.5
[M+H-H2O]+ 903.70806 299.9
[M+HCOO]- 965.70900 319.5
[M+CH3COO]- 979.72465 313.0
[M+Na-2H]- 941.68547 292.0
[M]+ 920.71025 314.6
[M]- 920.71135 314.6
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.