CID 131822707

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

Structural Information

Molecular Formula
C55H99N3O15P2
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C55H99N3O15P2/c1-4-6-7-8-9-10-11-12-17-21-24-27-30-33-36-39-50(59)68-43-47(71-51(60)40-37-34-31-28-25-22-19-16-14-13-15-18-20-23-26-29-32-35-38-46(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
FEGACCBCZCMVIV-AMMOKVPISA-N
Compound name
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxypropan-2-yl] 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 333.9
[M+Na]+ 1126.6444 337.2
[M-H]- 1102.6479 333.3
[M+NH4]+ 1121.6890 344.5
[M+K]+ 1142.6184 337.3
[M+H-H2O]+ 1086.6525 317.7
[M+HCOO]- 1148.6534 336.9
[M+CH3COO]- 1162.6691 341.4
[M+Na-2H]- 1124.6299 336.4
[M]+ 1103.6547 340.3
[M]- 1103.6557 340.3
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.