Structure Database (LMSD)

Common Name
(E)-6-decenoic acid
Systematic Name
6E-decenoic acid
Synonyms
LM ID
LMFA01030921
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
FA 10:1
Status
Active
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]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
IZOFWCYKCWUJBY-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)/b5-4+
SMILES (Click to copy)
OC(CCCC/C=C/CCC)=O

Other Databases

HMDB ID
HMDB0041012
CHEBI ID
180230
PubChem CID
5362594

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.99
Molar Refractivity 50.15

Admin

Created at
-
Updated at
25th Apr 2022