Structure database (LMSD)

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LM IDLMFA03090002
Common NameTrioxilin A3
Systematic Name8,11R,12S-trihydroxy-5Z,9E,14Z-eicosatrienoic acid
Synonyms-
Exact Mass
354.2406 (neutral)    Calculate m/z:
FormulaC20H34O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHepoxilins [FA0309]
Alternative classificationUnsaturated fatty acid; Hydroxy fatty acid;
LIPIDBANK IDXPR5011
PubChem Substance ID (SID)4266149
METABOLOMICS ID-
KEGG IDC14809
HMDB IDHMDB01977
YMDB ID-
CHEBI ID15630
InChIKeyWPLPEZUSILBTGP-CIQDQOFUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h
6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19
+/m0/s1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
387.95Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP4.21Molar
Refractivity
101.84    
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