CID 131823292

Chebi:185539

Structural Information

Molecular Formula
C43H85O10P
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C43H85O10P/c1-5-39(4)31-27-23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-25-29-33-43(47)53-41(37-52-54(48,49)51-35-40(45)34-44)36-50-42(46)32-28-24-21-20-22-26-30-38(2)3/h38-41,44-45H,5-37H2,1-4H3,(H,48,49)/t39?,40-,41+/m0/s1
InChIKey
DXADXZYAXUCWRB-XRCKYFATSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

792.588 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.59528 293.6
[M+Na]+ 815.57722 292.8
[M+NH4]+ 810.62182 300.1
[M+K]+ 831.55116 295.3
[M-H]- 791.58072 284.4
[M+Na-2H]- 813.56267 291.7
[M]+ 792.58745 292.1
[M]- 792.58855 292.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.