CID 53480928

Lysope(0:0/18:3(9z,12z,15z))

Structural Information

Molecular Formula
C23H42NO7P
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChI
InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1
InChIKey
JGWWMNVPHKMUCV-WOBXFXBNSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

475.2699 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.27718 213.9
[M+Na]+ 498.25912 219.3
[M-H]- 474.26262 209.5
[M+NH4]+ 493.30372 214.5
[M+K]+ 514.23306 213.0
[M+H-H2O]+ 458.26716 203.9
[M+HCOO]- 520.26810 222.2
[M+CH3COO]- 534.28375 233.5
[M+Na-2H]- 496.24457 199.4
[M]+ 475.26935 207.7
[M]- 475.27045 207.7
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