Structure Database (LMSD)

Common Name
Ximenic acid
Systematic Name
17Z-hexacosenoic acid
Synonyms
  • cis-17-hexacosenoic acid
  • C26:1n-9
LM ID
LMFA01030095
Formula
C26H50O2
Exact Mass
Calculate m/z
394.38108
Sum Composition
FA 26:1
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

String Representations

InChiKey (Click to copy)
RQIDQEBURXNDKG-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9-
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CC/C=C\CCCCCCCC

Other Databases

HMDB ID
HMDB0062452
CHEBI ID
77525
LIPIDBANK ID
DFA0134
PubChem CID
5282775
PlantFA ID
10172
SwissLipids ID
SLM:000001213

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 470.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.23
Molar Refractivity 124.02

Admin

Created at
-
Updated at
25th Apr 2022