CID 91820234

1-(18-hydroxyoleoyl)-2-lyso-phosphatidate

Structural Information

Molecular Formula
C21H41O8P
SMILES
C(CCCCO)CCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C21H41O8P/c22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21(24)28-18-20(23)19-29-30(25,26)27/h1-2,20,22-23H,3-19H2,(H2,25,26,27)/b2-1-/t20-/m1/s1
InChIKey
GFJKJLHWWZXDAU-KXFGNQBASA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-18-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

452.2539 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.26118 209.3
[M+Na]+ 475.24312 210.4
[M-H]- 451.24662 202.1
[M+NH4]+ 470.28772 207.4
[M+K]+ 491.21706 205.6
[M+H-H2O]+ 435.25116 198.7
[M+HCOO]- 497.25210 216.1
[M+CH3COO]- 511.26775 223.3
[M+Na-2H]- 473.22857 193.4
[M]+ 452.25335 204.7
[M]- 452.25445 204.7
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

No patent data available for this compound.