CID 53480949

Lysope(18:1(11z)/0:0)

Structural Information

Molecular Formula
C23H46NO7P
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h7-8,22,25H,2-6,9-21,24H2,1H3,(H,27,28)/b8-7-/t22-/m1/s1
InChIKey
WAYKKNOEMJFLDI-KOIKXXGWSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

479.30118 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.30846 218.3
[M+Na]+ 502.29040 222.5
[M-H]- 478.29390 212.3
[M+NH4]+ 497.33500 218.2
[M+K]+ 518.26434 217.1
[M+H-H2O]+ 462.29844 208.2
[M+HCOO]- 524.29938 224.9
[M+CH3COO]- 538.31503 236.3
[M+Na-2H]- 500.27585 202.8
[M]+ 479.30063 212.5
[M]- 479.30173 212.5
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

patents stripe