Structure database (LMSD)

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LM IDLMFA03050010
Common Name(+/-)14,15-DiHETrE
Systematic Name14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms-
Exact Mass
338.2457 (neutral)    Calculate m/z:
FormulaC20H34O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:3;O2
LIPIDBANK IDDFA8109
PubChem CID5283147
KEGG IDC14775
HMDB IDHMDB0002265
CHEBI ID63966
SWISSLIPIDS IDSLM:000501364
InChIKeySYAWGTIVOGUZMM-ILYOTBPNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-
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SMILES
C(/C=C\C/C=C\CCCC(=O)O)/C=C\CC(O)C(O)CCCCC
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
379.16Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.96Molar
Refractivity
99.94