Structure Database (LMSD)

Common Name
10E,16-heptadecadien-8-ynoic acid
Systematic Name
10E,16-heptadecadien-8-ynoic acid
Synonyms
  • Acetylenic acids
  • 10,16-Heptadecadien-8-ynoic acid, (E)-
LM ID
LMFA01030475
Formula
C17H26O2
Exact Mass
Calculate m/z
262.19328
Sum Composition
FA 17:4
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

String Representations

InChiKey (Click to copy)
YABWMILQFXOECJ-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,7-8H,1,3-6,11-16H2,(H,18,19)/b8-7+
SMILES (Click to copy)
C(CCCCCCC#C/C=C/CCCCC=C)(=O)O

Other Databases

LIPIDAT ID
4074
CHEBI ID
184143
PubChem CID
5312614
PlantFA ID
10458

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 307.04
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.72
Molar Refractivity 80.92

Admin

Created at
-
Updated at
25th Apr 2022