CID 131822933

Cdp-dg(i-19:0/18:2(9z,11z))

Structural Information

Molecular Formula
C49H87N3O15P2
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)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/C49H87N3O15P2/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-31-34-45(54)65-41(37-62-44(53)33-30-27-24-21-18-16-13-14-17-20-23-26-29-32-40(2)3)38-63-68(58,59)67-69(60,61)64-39-42-46(55)47(56)48(66-42)52-36-35-43(50)51-49(52)57/h9-12,35-36,40-42,46-48,55-56H,4-8,13-34,37-39H2,1-3H3,(H,58,59)(H,60,61)(H2,50,51,57)/b10-9-,12-11-/t41-,42-,46+,47?,48-/m1/s1
InChIKey
UKZBGQXZUSGXHP-PXKAAIOPSA-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] 17-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1019.5612 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1020.5685 316.4
[M+Na]+ 1042.5504 320.7
[M-H]- 1018.5539 318.0
[M+NH4]+ 1037.5950 327.0
[M+K]+ 1058.5244 318.3
[M+H-H2O]+ 1002.5585 300.6
[M+HCOO]- 1064.5594 321.8
[M+CH3COO]- 1078.5751 327.7
[M+Na-2H]- 1040.5359 317.8
[M]+ 1019.5607 306.8
[M]- 1019.5617 306.8
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.