Structure Database (LMSD)

Common Name
19:1(13Z)
Systematic Name
13Z-nonadecenoic acid
Synonyms
  • C19:1n-6
LM ID
LMFA01030908
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
FA 19:1
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Siphonaria denticulata (#190183)
Gastropoda (#6448)
Identification and total synthesis of novel fatty acids from the Siphonarid limpet Siphonaria denticulata.,
J Nat Prod, 2001
Pubmed ID: 11720525

String Representations

InChiKey (Click to copy)
FQWSRDQVIFNBQE-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7H,2-5,8-18H2,1H3,(H,20,21)/b7-6-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCCCC)(=O)O

Other Databases

CHEBI ID
196576
PubChem CID
52921860

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.50
Molar Refractivity 91.70

Admin

Created at
-
Updated at
25th Apr 2022