Structure Database (LMSD)

Common Name
9Z-tridecenoic acid
Systematic Name
9Z-tridecenoic acid
Synonyms
  • C13:1n-4
LM ID
LMFA01031195
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
FA 13:1
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bos taurus (#9913)
Mammalia (#40674)
Characterization and Semiquantitative Analysis of Novel Ultratrace C10-24 Monounsaturated Fatty Acid in Bovine Milkfat by Solvent-Mediated Covalent Adduct Chemical Ionization (CACI) MS/MS.,
J Agric Food Chem, 2020
Pubmed ID: 32608227

String Representations

InChiKey (Click to copy)
KIWIPIAOWPKUNM-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h4-5H,2-3,6-12H2,1H3,(H,14,15)/b5-4-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCC)(=O)O

Other Databases

PubChem CID
57411980

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.16
Molar Refractivity 64.00

Admin

Created at
6th Jul 2020
Updated at
29th Mar 2024