CID 131822709

Cdp-dg(18:2(9z,11z)/i-13:0)

Structural Information

Molecular Formula
C43H75N3O15P2
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)CCCCCCCCCC(C)C
InChI
InChI=1S/C43H75N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-38(47)56-31-35(59-39(48)28-25-22-19-16-17-20-23-26-34(2)3)32-57-62(52,53)61-63(54,55)58-33-36-40(49)41(50)42(60-36)46-30-29-37(44)45-43(46)51/h9-12,29-30,34-36,40-42,49-50H,4-8,13-28,31-33H2,1-3H3,(H,52,53)(H,54,55)(H2,44,45,51)/b10-9-,12-11-/t35-,36-,40+,41?,42-/m1/s1
InChIKey
MPBUAGUYCZRSDZ-RNKUEFOFSA-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-(11-methyldodecanoyloxy)propyl] (9Z,11Z)-octadeca-9,11-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

935.46735 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 936.47463 294.4
[M+Na]+ 958.45657 291.9
[M+NH4]+ 953.50117 295.9
[M+K]+ 974.43051 292.8
[M-H]- 934.46007 289.4
[M+Na-2H]- 956.44202 301.6
[M]+ 935.46680 291.4
[M]- 935.46790 291.4
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.