Structure Database (LMSD)

Common Name
16Z-eicosenoic acid
Systematic Name
16Z-eicosenoic acid
Synonyms
LM ID
LMFA01031118
Formula
C20H38O2
Exact Mass
Calculate m/z
310.28718
Sum Composition
FA 20:1
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

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
Trikentrion (#484443)
Demospongiae (#6042)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

String Representations

InChiKey (Click to copy)
NSGWRVBQRUTMPS-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5H,2-3,6-19H2,1H3,(H,21,22)/b5-4-
SMILES (Click to copy)
C(CCCCCCCCCCCCCC/C=C\CCC)(=O)O

Other Databases

CHEBI ID
193169
PubChem CID
131839773

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

Admin

Created at
-
Updated at
25th Apr 2022