Structure Database (LMSD)

Common Name
Tetrapedic acid A
Systematic Name
3R,7R-dihydroxy-eicosanoic acid
Synonyms
LM ID
LMFA01050426
Formula
C20H40O4
Exact Mass
Calculate m/z
344.29266
Sum Composition
FA 20:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
WKTAZNAFUIUYKK-RTBURBONSA-N
InChi (Click to copy)
InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(21)15-13-16-19(22)17-20(23)24/h18-19,21-22H,2-17H2,1H3,(H,23,24)/t18-,19-/m1/s1
SMILES (Click to copy)
C(C[C@H](O)CCC[C@H](O)CCCCCCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tetrapedia diversipes (#889126)
Insecta (#50557)
Byrsonic acid--the clue to floral mimicry involving oil-producing flowers and oil-collecting bees.,
J Chem Ecol, 2007
Pubmed ID: 17530390

Other Databases

PubChem CID
73242167

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 387.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.63
Molar Refractivity 100.22

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Created at
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Updated at
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