Structure database (LMSD)

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LM IDLMFA03050007
Common Name15S-HETrE
Systematic Name15S-hydroxy-8Z,11Z,13E-eicosatrienoic acid
Synonyms-
Exact Mass
322.2508 (neutral)    Calculate m/z:
FormulaC20H34O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:3;O
LIPIDBANK IDDFA8144
PubChem CID5283145
HMDB IDHMDB0005045
CHEBI ID88348
CAYMAN ID36720
InChIKeyIUKXMNDGTWTNTP-OAHXIXLCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1
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SMILES
C(/C/C=C\C=C\[C@@H](O)CCCCC)=C/CCCCCCC(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
370.37Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.70Molar
Refractivity
98.04