Structure Database (LMSD)

Common Name
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid
Systematic Name
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid
Synonyms
LM ID
LMFA01030787
Formula
C12H20O3
Exact Mass
Calculate m/z
212.141245
Sum Composition
FA 12:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
LNRHHLFPGMFPLP-WTIVLTGYSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c1-10(7-4-8-13)5-3-6-11(2)9-12(14)15/h5,9,13H,3-4,6-8H2,1-2H3,(H,14,15)/b10-5+,11-9+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/CCCO)(=O)O

Other Databases

CHEBI ID
180010
PubChem CID
12454423

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 234.61
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.80
Molar Refractivity 61.19

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Updated at
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