Structure database (LMSD)

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LM IDLMFA04030012
Common NameResolvin D3
Systematic Name4S,10,17S-trihydroxy-5E,7E,9E,13Z,15E,19Z-docosahexaenoic acid
SynonymsRvD3
Exact Mass
376.2250 (neutral)    Calculate m/z:
FormulaC22H32O5
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassResolvin Ds [FA0403]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 22:6;O3
PubChem CID53477497
InChIKeyQBTJOLCUKWLTIC-LWJDKMHHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9+/t19-,20?,21-/m1/s1
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SMILES
C(CC[C@H](O)/C=C/C=C/C=C/C(O)C/C=C\C=C\[C@H](O)C/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
414.63Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP4.32Molar
Refractivity
110.79