Structure Database (LMSD)

OH
Common Name
1-Tritriacontanol
Systematic Name
tritriacontan-1-ol
Synonyms
LM ID
LMFA05000604
Formula
C33H68O
Exact Mass
Calculate m/z
480.527015
Sum Composition
FOH 33:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZERSFCCIRKUIFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

References

Other Databases

HMDB ID
HMDB0041478
PubChem CID
156150

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 588.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.38
Molar Refractivity 156.38

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022