Structure Database (LMSD)

Common Name
9,12,15-hexadecatrienoic acid
Systematic Name
9,12,15-hexadecatrienoic acid
Synonyms
  • C16:3n-1,4,7
LM ID
LMFA01030139
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
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)
OAXMYGCFSSOPQP-AOSYACOCSA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8H,1,3,6,9-15H2,(H,17,18)/b5-4+,8-7+
SMILES (Click to copy)
C(/C/C=C/CC=C)=C\CCCCCCCC(=O)O

Other Databases

CHEBI ID
180364
LIPIDBANK ID
DFA0178
PubChem CID
5282814

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 292.38
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.88
Molar Refractivity 77.67

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Created at
-
Updated at
25th Apr 2022