Structure Database (LMSD)

Common Name
9Z-Octadecen-1-ol
Systematic Name
9Z-Octadecen-1-ol
Synonyms
LM ID
LMFA05000213
Formula
C18H36O
Exact Mass
Calculate m/z
268.276615
Sum Composition
FOH 18:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

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

Reactions

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Reactions graph legend

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
ALSTYHKOOCGGFT-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-
SMILES (Click to copy)
OCCCCCCCC/C=C\CCCCCCCC

Other Databases

HMDB ID
HMDB0029632
CHEBI ID
73504
PubChem CID
5284499
SwissLipids ID
SLM:000000584
Cayman ID
30385

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 326.11
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.30
Molar Refractivity 87.03

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Created at
-
Updated at
25th Apr 2022