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]+ 351.216596 191.5
[M+Na]+ 373.198538 192.2
[M-H]- 349.202044 184.0
[M+NH4]+ 368.243143 185.3
[M+K]+ 389.172478 185.8
[M+H-H2O]+ 333.206580 185.4
[M+HCOO]- 395.207521 190.9
[M+CH3COO]- 409.223171 204.4
[M+Na-2H]- 371.183986 184.4
[M]+ 350.20877142 190.3
[M]- 350.20986858 190.3
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.