CID 16086878

Chebi:140349

Structural Information

Molecular Formula
C22H32O6
SMILES
CC/C=C\C[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](C/C=C\CCC(=O)O)OO)OO
InChI
InChI=1S/C22H32O6/c1-2-3-10-15-20(27-25)16-11-7-5-4-6-8-12-17-21(28-26)18-13-9-14-19-22(23)24/h3,5-13,16-17,20-21,25-26H,2,4,14-15,18-19H2,1H3,(H,23,24)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
InChIKey
NQUUEKCCEOGKDL-XGTWDWJNSA-N
Compound name
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroperoxydocosa-4,8,10,13,15,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.21988 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22716 200.8
[M+Na]+ 415.20910 202.3
[M+NH4]+ 410.25370 198.4
[M+K]+ 431.18304 199.3
[M-H]- 391.21260 193.0
[M+Na-2H]- 413.19455 195.4
[M]+ 392.21933 196.9
[M]- 392.22043 196.9
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.