[3H]resolvin D1   

GtoPdb Ligand ID: 4356

Synonyms: [3H]-RvD1
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
Canonical SMILES CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O
Isomeric 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-/m0/s1
InChI Key OIWTWACQMDFHJG-LDOXQWQISA-N
Classification
Compound class Synthetic organic
Synonyms
[3H]-RvD1
Database Links
GtoPdb PubChem SID 178101173
PubChem CID 73755062
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