Structure Database (LMSD)

Common Name
12-hydroxy-3Z-dodecenoic acid
Systematic Name
12-hydroxy-3Z-dodecenoic acid
Synonyms
LM ID
LMFA01050170
Formula
C12H22O3
Exact Mass
Calculate m/z
214.156895
Sum Composition
FA 12:1;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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
RRJILZUCEDMMNU-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h6,8,13H,1-5,7,9-11H2,(H,14,15)/b8-6-
SMILES (Click to copy)
C(C/C=C\CCCCCCCCO)(=O)O

Other Databases

LIPIDAT ID
4608
CHEBI ID
180018
PubChem CID
5312747

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 237.25
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.03
Molar Refractivity 61.29

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Created at
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Updated at
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