Structure Database (LMSD)

Common Name
Isomycomycin
Systematic Name
3Z,5Z-tridecadiene-7,9,11-triynoic acid
Synonyms
LM ID
LMFA01031045
Formula
C13H10O2
Exact Mass
Calculate m/z
198.06808
Sum Composition
FA 13:8
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)
HCPADGVIDOCFKJ-XESWYYRISA-N
InChi (Click to copy)
InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,12H2,1H3,(H,14,15)/b9-8-,11-10-
SMILES (Click to copy)
C(C/C=C\C=C/C#CC#CC#CC)(=O)O

Other Databases

PubChem CID
131839748

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 227.28
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.6
Molar Refractivity 59.53

Admin

Created at
-
Updated at
25th Apr 2022