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]+ 387.237716 197.6
[M+Na]+ 409.219658 191.8
[M-H]- 385.223164 185.0
[M+NH4]+ 404.264263 184.4
[M+K]+ 425.193598 191.6
[M+H-H2O]+ 369.227700 191.7
[M+HCOO]- 431.228641 192.1
[M+CH3COO]- 445.244291 206.6
[M+Na-2H]- 407.205106 192.2
[M]+ 386.22989142 185.1
[M]- 386.23098858 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.