Structure Database (LMSD)

Common Name
(Z)-2-Decene-4,6,8-triyn-1-ol
Systematic Name
(2E)-dec-2-en-4,6,8-triyn-1-ol
Synonyms
LM ID
LMFA05000569
Formula
C10H8O
Exact Mass
Calculate m/z
144.057515
Sum Composition
FOH 10:7
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
JTVVPVMSFPTJLN-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C10H8O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,10H2,1H3/b9-8+
SMILES (Click to copy)
OC/C=C/C#CC#CC#CC

References

Other Databases

HMDB ID
HMDB0031001
CHEBI ID
173380
PubChem CID
6365178

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 171.87
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.85
Molar Refractivity 45.72

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022