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]+ 453.261176 209.3
[M+Na]+ 475.243118 210.4
[M-H]- 451.246624 202.1
[M+NH4]+ 470.287723 207.4
[M+K]+ 491.217058 205.6
[M+H-H2O]+ 435.251160 198.7
[M+HCOO]- 497.252101 216.1
[M+CH3COO]- 511.267751 223.3
[M+Na-2H]- 473.228566 193.4
[M]+ 452.25335142 204.7
[M]- 452.25444858 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.