Structure Database (LMSD)

Common Name
(3Z,6Z,9Z)-dodecatrienol
Systematic Name
3Z,6Z,9Z-dodecatrien-1-ol
Synonyms
  • (Z,Z,Z)-3,6,9-Dodecatrien-1-ol
LM ID
LMFA05000097
Formula
C12H20O
Exact Mass
Calculate m/z
180.151415
Sum Composition
FOH 12:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

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)
OFAUAWIRDOCHFP-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(/C/C=C\CCO)=C/C/C=C\CC

Other Databases

KEGG ID
C08375
CHEBI ID
28627
PubChem CID
5281129

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 217.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.51
Molar Refractivity 59.14

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Created at
-
Updated at
25th Apr 2022