CID 131822021

Pa(20:4(8z,11z,14z,17z)/15:0)

Structural Information

Molecular Formula
C38H67O8P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O
InChI
InChI=1S/C38H67O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(39)44-34-36(35-45-47(41,42)43)46-38(40)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,36H,3-4,6,8-10,12,14-16,19,22-35H2,1-2H3,(H2,41,42,43)/b7-5-,13-11-,18-17-,21-20-/t36-/m1/s1
InChIKey
TXCSWIQGBURGLW-SVSQXTJPSA-N
Compound name
[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

682.45734 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.46462 264.2
[M+Na]+ 705.44656 266.5
[M+NH4]+ 700.49116 268.1
[M+K]+ 721.42050 266.7
[M-H]- 681.45006 255.0
[M+Na-2H]- 703.43201 264.7
[M]+ 682.45679 262.7
[M]- 682.45789 262.7
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.