CID 53481507

20-cooh-10,11-dihydro-ltb4

Structural Information

Molecular Formula
C20H32O6
SMILES
C(CCC(=O)O)C/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
InChIKey
BCZGHMCTSJAJRR-NSBXBVANSA-N
Compound name
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.21988 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22716 194.7
[M+Na]+ 391.20910 194.7
[M-H]- 367.21260 187.0
[M+NH4]+ 386.25370 190.2
[M+K]+ 407.18304 189.7
[M+H-H2O]+ 351.21714 188.1
[M+HCOO]- 413.21808 194.5
[M+CH3COO]- 427.23373 208.5
[M+Na-2H]- 389.19455 187.7
[M]+ 368.21933 195.9
[M]- 368.22043 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.