Structure database (LMSD)

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LM IDLMFA03050018
Common Name11,14,15-trihydroxy-5Z,8Z,12E-eicosatrienoic acid
Systematic Name11,14,15-trihydroxy-5Z,8Z,12E-eicosatrienoic acid
Synonyms-
Exact Mass
354.2406 (neutral)    Calculate m/z:
FormulaC20H34O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID11954059
KEGG IDC14814
HMDB IDHMDB0004694
CHEBI ID34131
InChIKeyYCFPVUKKIWMCJK-LTCHCNGXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+
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SMILES
C(/C=C\C/C=C\CCCC(=O)O)C(O)/C=C/C(O)C(O)CCCCC
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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