CID 52929228

Pa(20:4(5z,8z,11z,14z)/19:1(9z))

Structural Information

Molecular Formula
C42H73O8P
SMILES
CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChI
InChI=1S/C42H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,28,30,40H,3-10,12,14-16,18,21,25-27,29,31-39H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-,22-20-,24-23-,30-28-/t40-/m1/s1
InChIKey
PHMUGQYUELBZQA-HJLZSEEDSA-N
Compound name
[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

736.50433 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.51161 274.4
[M+Na]+ 759.49355 277.4
[M-H]- 735.49705 265.6
[M+NH4]+ 754.53815 279.8
[M+K]+ 775.46749 279.3
[M+H-H2O]+ 719.50159 264.7
[M+HCOO]- 781.50253 278.0
[M+CH3COO]- 795.51818 280.6
[M+Na-2H]- 757.47900 254.1
[M]+ 736.50378 272.2
[M]- 736.50488 272.2
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.