Structure Database (LMSD)

Common Name
Melissyl alcohol
Systematic Name
1-triacontanol
Synonyms
  • Myricyl alcohol
  • triacontan-1-ol
LM ID
LMFA05000006
Formula
C30H62O
Exact Mass
Calculate m/z
438.480066
Sum Composition
FOH 30:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Medicago sativa (#3879)
Magnoliopsida (#3398)
Triacontanol: a new naturally occurring plant growth regulator.,
Science, 1977
Pubmed ID: 17738418

String Representations

InChiKey (Click to copy)
REZQBEBOWJAQKS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62O/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/h31H,2-30H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCO)CCCCCCCCCCCCCCCC

Other Databases

Wikipedia
Melissyl alcohol
KEGG ID
C08392
CHEBI ID
28409
PubChem CID
68972
SwissLipids ID
SLM:000001246
Cayman ID
88840

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 536.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 11.21
Molar Refractivity 142.53

Admin

Created at
-
Updated at
23rd Jan 2025