CID 11262814

Chebi:139156

Structural Information

Molecular Formula
C42H79O10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COP(=O)(OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CO)O)CO
InChI
InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)51-39(35-43)37-49-53(47,48)50-38-40(36-44)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17-,20-18-/t39-,40-/m0/s1
InChIKey
ZCXRIDHJRROVJY-JOZUOZHYSA-N
Compound name
[(2S)-1-hydroxy-3-[hydroxy-[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

774.5411 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.54838 285.6
[M+Na]+ 797.53032 285.9
[M+NH4]+ 792.57492 290.5
[M+K]+ 813.50426 287.8
[M-H]- 773.53382 275.9
[M+Na-2H]- 795.51577 284.2
[M]+ 774.54055 283.9
[M]- 774.54165 283.9
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

patents stripe