Structure Database (LMSD)

OH
Common Name
2,4-Nonadien-1-ol
Systematic Name
(2E,4E)-nona-2,4-dien-1-ol
Synonyms
LM ID
LMFA05000608
Formula
C9H16O
Exact Mass
Calculate m/z
140.120115
Sum Composition
FOH 9:2
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)
NCPWFIVLKCFWSP-BSWSSELBSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3/b6-5+,8-7+
SMILES (Click to copy)
C(/CCCC)=C\C=C\CO

References

Other Databases

HMDB ID
HMDB0034845
CHEBI ID
168955
PubChem CID
5364586

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 167.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.57
Molar Refractivity 45.38

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022