Structure Database (LMSD)

Common Name
Seylereic acid
Systematic Name
12Z-tetradecenoic acid
Synonyms
  • C14:1n-2
LM ID
LMFA01031322
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
FA 14:1
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

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Pubmed ID: 37402773

String Representations

InChiKey (Click to copy)
DOPFRSWQQFJVHQ-IHWYPQMZSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3H,4-13H2,1H3,(H,15,16)/b3-2-
SMILES (Click to copy)
C(CCCCCCCCCC/C=C\C)(=O)O

Other Databases

CHEBI ID
195353
PubChem CID
87408039

Calculated Physicochemical Properties

Heavy Atoms 16
Rings
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.55
Molar Refractivity 68.62

Admin

Created at
19th Jul 2023
Updated at
20th Jul 2023