Structure Database (LMSD)
Common Name
Tetrapedic acid A
Systematic Name
3R,7R-dihydroxy-eicosanoic acid
Synonyms
LM ID
LMFA01050426
Formula
Exact Mass
Calculate m/z
344.29266
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Tetrapedic acid A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
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
Other Databases
PubChem CID
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
Admin
Created at
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Updated at
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