CID 52925262

Ps(15:0/20:2(11z,14z))

Structural Information

Molecular Formula
C41H76NO10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C41H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(44)52-37(35-50-53(47,48)51-36-38(42)41(45)46)34-49-39(43)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,37-38H,3-10,12,14-16,19-36,42H2,1-2H3,(H,45,46)(H,47,48)/b13-11-,18-17-/t37-,38+/m1/s1
InChIKey
XPBBWSROBWCHFF-CAWRKHGTSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

773.5207 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.52798 281.1
[M+Na]+ 796.50992 284.4
[M+NH4]+ 791.55452 287.8
[M+K]+ 812.48386 285.8
[M-H]- 772.51342 275.9
[M+Na-2H]- 794.49537 281.8
[M]+ 773.52015 281.3
[M]- 773.52125 281.3
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.