CID 16126783

17(r)-resolvin d1

Structural Information

Molecular Formula
C22H32O5
SMILES
CC/C=C\C[C@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](C/C=C\CCC(=O)O)O)O)O
InChI
InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21+/m1/s1
InChIKey
OIWTWACQMDFHJG-BJEBZIPWSA-N
Compound name
(4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

456
References

936
Patents

376.22498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23226 198.8
[M+Na]+ 399.21420 198.8
[M+NH4]+ 394.25880 194.0
[M+K]+ 415.18814 195.3
[M-H]- 375.21770 190.1
[M+Na-2H]- 397.19965 192.8
[M]+ 376.22443 193.0
[M]- 376.22553 193.0
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

patents stripe