Structure Database (LMSD)

Common Name
Tridecan-1-ol
Systematic Name
Tridecan-1-ol
Synonyms
LM ID
LMFA05000171
Formula
C13H28O
Exact Mass
Calculate m/z
200.214015
Sum Composition
FOH 13:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
XFRVVPUIAFSTFO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
SMILES (Click to copy)
OCCCCCCCCCCCCC

Other Databases

KEGG ID
C14509
HMDB ID
HMDB0013316
CHEBI ID
34123
PubChem CID
8207

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 242.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.57
Molar Refractivity 64.04

Admin

Created at
-
Updated at
25th Apr 2022