CID 5283537

Pa(19:3(10z,13z,16z)/0:0)

Structural Information

Molecular Formula
C22H39O7P
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C22H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h3-4,6-7,9-10,21,23H,2,5,8,11-20H2,1H3,(H2,25,26,27)/b4-3-,7-6-,10-9-/t21-/m1/s1
InChIKey
BOUZMDJRRNOZRJ-CGJPJHFBSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (10Z,13Z,16Z)-nonadeca-10,13,16-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.24335 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.25063 206.3
[M+Na]+ 469.23257 210.0
[M-H]- 445.23607 200.1
[M+NH4]+ 464.27717 206.6
[M+K]+ 485.20651 204.7
[M+H-H2O]+ 429.24061 196.8
[M+HCOO]- 491.24155 216.1
[M+CH3COO]- 505.25720 223.4
[M+Na-2H]- 467.21802 192.3
[M]+ 446.24280 202.3
[M]- 446.24390 202.3
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.