Structure Database (LMSD)

Common Name
Oleraceacid A
Systematic Name
Pentadeca-7E,9E,12E-trienoic acid
Synonyms
LM ID
LMFA01031263
Formula
C15H24O2
Exact Mass
Calculate m/z
236.17763
Sum Composition
FA 15:3
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Portulaca oleracea (#46147)
Magnoliopsida (#3398)
Two new organic acids from Portulaca oleracea L. and their anti-inflammatory and anticholinesterase activities,
Nat Prod Res, 2021
Pubmed ID: 34749551

String Representations

InChiKey (Click to copy)
WRCWZQOTAJVLSU-SIRUGEDZSA-N
InChi (Click to copy)
InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h3-4,6-9H,2,5,10-14H2,1H3,(H,16,17)/b4-3+,7-6+,9-8+
SMILES (Click to copy)
C(CCCCC/C=C/C=C/C/C=C/CC)(=O)O

Other Databases

PubChem CID
171120749

Calculated Physicochemical Properties

Heavy Atoms 17
Rings
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 275.08
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.49
Molar Refractivity 73.05

Admin

Created at
15th Nov 2021
Updated at
25th Apr 2022