CID 53481448

10,11-dihydro-20-trihydroxy-leukotriene b4

Structural Information

Molecular Formula
C20H34O7
SMILES
C(CCC(O)(O)O)C/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24)/b4-3+,6-2-,13-8-/t17-,18-/m0/s1
InChIKey
LSVHZFZMMXHHBS-MNBASXMYSA-N
Compound name
(5R,6Z,8E,12R,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

386.23044 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23772 197.6
[M+Na]+ 409.21966 191.8
[M-H]- 385.22316 185.0
[M+NH4]+ 404.26426 184.4
[M+K]+ 425.19360 191.6
[M+H-H2O]+ 369.22770 191.7
[M+HCOO]- 431.22864 192.1
[M+CH3COO]- 445.24429 206.6
[M+Na-2H]- 407.20511 192.2
[M]+ 386.22989 185.1
[M]- 386.23099 185.1
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.