CID 53480923

Lysope(0:0/16:1(9z))

Structural Information

Molecular Formula
C21H42NO7P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChI
InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1
InChIKey
MAFRHGZTIOAXEL-WHXUGTBJSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

451.2699 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.27718 211.1
[M+Na]+ 474.25912 215.7
[M-H]- 450.26262 205.9
[M+NH4]+ 469.30372 211.1
[M+K]+ 490.23306 209.5
[M+H-H2O]+ 434.26716 201.3
[M+HCOO]- 496.26810 218.5
[M+CH3COO]- 510.28375 230.5
[M+Na-2H]- 472.24457 196.5
[M]+ 451.26935 205.4
[M]- 451.27045 205.4
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