Structure Database (LMSD)

Common Name
9,12,15-Octadecatrien-1-ol
Systematic Name
9,12,15-Octadecatrien-1-ol
Synonyms
LM ID
LMFA05000216
Formula
C18H32O
Exact Mass
Calculate m/z
264.245315
Sum Composition
FOH 18:3
Status
Curated
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bombus magnus (#218856)
Insecta (#50557)
Male labial gland secretions and mitochondrial DNA markers support species status of Bombus cryptarum and B. magnus (Hymenoptera, Apidae),
Insectes Sociaux, 2005

String Representations

InChiKey (Click to copy)
IKYKEVDKGZYRMQ-IUQGRGSQSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3+,7-6+,10-9+
SMILES (Click to copy)
OCCCCCCCC/C=C/C/C=C/C/C=C/CC

Other Databases

CHEBI ID
186635
PubChem CID
5367327

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 320.83
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.85
Molar Refractivity 86.84

Admin

Created at
-
Updated at
28th Nov 2024