CID 131822789

Cdp-dg(a-25:0/18:2(9z,11z))

Structural Information

Molecular Formula
C55H99N3O15P2
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C55H99N3O15P2/c1-4-6-7-8-9-10-11-12-17-22-25-28-31-34-37-40-51(60)71-47(43-68-50(59)39-36-33-30-27-24-21-19-16-14-13-15-18-20-23-26-29-32-35-38-46(3)5-2)44-69-74(64,65)73-75(66,67)70-45-48-52(61)53(62)54(72-48)58-42-41-49(56)57-55(58)63/h10-12,17,41-42,46-48,52-54,61-62H,4-9,13-16,18-40,43-45H2,1-3H3,(H,64,65)(H,66,67)(H2,56,57,63)/b11-10-,17-12-/t46?,47-,48-,52+,53?,54-/m1/s1
InChIKey
AFYWIUCVMBGIBF-AMMOKVPISA-N
Compound name
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1103.6552 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1104.6625 325.7
[M+Na]+ 1126.6444 326.3
[M+NH4]+ 1121.6890 331.0
[M+K]+ 1142.6184 330.3
[M-H]- 1102.6479 321.1
[M+Na-2H]- 1124.6299 339.8
[M]+ 1103.6547 326.1
[M]- 1103.6557 326.1
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.