Structure Database (LMSD)

Common Name
Lumequic acid
Systematic Name
(21E)-triacont-21-enoic acid
Synonyms
LM ID
LMFA01031013
Formula
C30H58O2
Exact Mass
Calculate m/z
450.44368
Sum Composition
FA 30:1
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]

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)
QXYCISFUJXCMSU-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h9-10H,2-8,11-29H2,1H3,(H,31,32)/b10-9+
SMILES (Click to copy)
CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCCCC(=O)O

Other Databases

HMDB ID
HMDB0034432
PubChem CID
13132095

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 539.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.79
Molar Refractivity 142.49

Admin

Created at
-
Updated at
25th Apr 2022