CID 122198258

Chebi:133821

Structural Information

Molecular Formula
C20H30O5
SMILES
CC/C=C\C[C@H](/C=C/C=C\C=C\C=C\C(C(CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h3-10,13-14,17-19,21-23H,2,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,13-9+,14-10+/t17-,18?,19?/m1/s1
InChIKey
ZZMKOZNTEJVKRY-GUBQSTNLSA-N
Compound name
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.20932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21660 191.3
[M+Na]+ 373.19854 194.3
[M+NH4]+ 368.24314 189.8
[M+K]+ 389.17248 190.4
[M-H]- 349.20204 185.6
[M+Na-2H]- 371.18399 185.9
[M]+ 350.20877 188.6
[M]- 350.20987 188.6
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.