Structure Database (LMSD)

Common Name
2E,13Z-octadecadien-1-ol
Systematic Name
2E,13Z-octadecadien-1-ol
Synonyms
  • octadecan-2E,13Z-dien-1-ol
LM ID
LMFA05000057
Formula
C18H34O
Exact Mass
Calculate m/z
266.260965
Sum Composition
FOH 18:2
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Melittia cucurbitae (#655047)
Insecta (#50557)
Sex Pheromone of the Female Squash Vine Borer (Lepidoptera: Sesiidae),
J. Entomol Sci, 1990

String Representations

InChiKey (Click to copy)
YCOMGIOWVNOOBC-RAPDCGKPSA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5-,17-16+
SMILES (Click to copy)
C(CC/C=C\CCCC)CCCCCC/C=C/CO

Other Databases

PubChem CID
5283306

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.08
Molar Refractivity 86.93

Admin

Created at
-
Updated at
25th Apr 2022