Structure Database (LMSD)

Common Name
Undecan-1-ol
Systematic Name
Undecan-1-ol
Synonyms
LM ID
LMFA05000144
Formula
C11H24O
Exact Mass
Calculate m/z
172.182715
Sum Composition
FOH 11:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

String Representations

InChiKey (Click to copy)
KJIOQYGWTQBHNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
SMILES (Click to copy)
OCCCCCCCCCCC

References

Comments
Pherobase

Other Databases

HMDB ID
HMDB0013113
CHEBI ID
87499
PubChem CID
8184
PDB ID
ZFC

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 207.65
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.79
Molar Refractivity 54.80

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022