Structure Database (LMSD)

Common Name
3Z,6Z-Nonadien-1-ol
Systematic Name
3Z,6Z-Nonadien-1-ol
Synonyms
LM ID
LMFA05000136
Formula
C9H16O
Exact Mass
Calculate m/z
140.120115
Sum Composition
FOH 9:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
PICGPEBVZGCYBV-CWWKMNTPSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-
SMILES (Click to copy)
OCC/C=C\C/C=C\CC

Other Databases

HMDB ID
HMDB0030957
CHEBI ID
195699
PubChem CID
6434541

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

Admin

Created at
-
Updated at
25th Apr 2022