CID 134812366

Og-pe

Structural Information

Molecular Formula
C28H52NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(=O)O
InChI
InChI=1S/C28H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(32)36-23-25(24-38-40(34,35)37-22-21-29)39-28(33)20-17-18-26(30)31/h9-10,25H,2-8,11-24,29H2,1H3,(H,30,31)(H,34,35)/b10-9-/t25-/m1/s1
InChIKey
HNCJTFUKDGQMLS-HAAQQRBASA-N
Compound name
5-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.3329 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.34018 241.2
[M+Na]+ 616.32212 244.9
[M-H]- 592.32562 239.5
[M+NH4]+ 611.36672 246.8
[M+K]+ 632.29606 241.6
[M+H-H2O]+ 576.33016 232.0
[M+HCOO]- 638.33110 242.3
[M+CH3COO]- 652.34675 255.9
[M+Na-2H]- 614.30757 224.3
[M]+ 593.33235 236.8
[M]- 593.33345 236.8
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.