Structure Database (LMSD)

Common Name
Macrocarpic acid
Systematic Name
12,14-octadecadiynoic acid
Synonyms
  • 12,14-Octadecadiynoic acid
LM ID
LMFA01030547
Formula
C18H28O2
Exact Mass
Calculate m/z
276.20893
Sum Composition
FA 18:4
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]
Octadecanoids [FA02]

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
Porcelia (#306974)
Magnoliopsida (#3398)
Antitrypanosomal Acetylene Fatty Acid Derivatives from the Seeds of Porcelia macrocarpa (Annonaceae).,
Molecules, 2015
Pubmed ID: 25961159

String Representations

InChiKey (Click to copy)
WSAFAXYKIFSAKZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,8-17H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCC#CC#CCCC)(=O)O

Other Databases

LIPIDAT ID
5642
PubChem CID
5312675

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 324.34
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.78
Molar Refractivity 84.27

Admin

Created at
-
Updated at
25th Apr 2022