resolvin D2   Click here for help

GtoPdb Ligand ID: 5417

Immunopharmacology Ligand
Comment: This is a D-series resolvin.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 97.99
Molecular weight 376.22
XLogP 3.23
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCC=CCC(C(C=CC=CC=CC=CC(CC=CCCC(=O)O)O)O)O
Isomeric SMILES CC/C=C\C[C@@H](C(/C=C/C=C/C=C\C=C\[C@@H](C/C=C\CCC(=O)O)O)O)O
InChI InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1
InChI Key IKFAUGXNBOBQDM-GIINMYNKSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
Database Links Click here for help
CAS Registry No. 578008-41-0
GtoPdb PubChem SID 178102070
PubChem CID 16061136
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