Structure Database (LMSD)
Common Name
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
Systematic Name
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
Synonyms
- (3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate
LM ID
LMFA01170075
Formula
Exact Mass
Calculate m/z
346.199155
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
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
String Representations
InChiKey (Click to copy)
QFOFNCNFUGQWTO-DYVFJYSZSA-N
InChi (Click to copy)
InChI=1S/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1
SMILES (Click to copy)
C(C(O)=O)C[C@@](O)(C(O)=O)[C@@H](C(O)=O)CCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
356.27
Topological Polar Surface Area
132.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
3.18
Molar Refractivity
88.32
Admin
Created at
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Updated at
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