Structure Database (LMSD)

Common Name
2-Tricosanone
Systematic Name
Tricosan-2-one
Synonyms
LM ID
LMFA12000197
Formula
C23H46O
Exact Mass
Calculate m/z
338.354866
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Primula veris (#170927)
Magnoliopsida (#3398)
Very-Long-Chain Wax Constituents from Primula veris and P. acaulis: Does the Paradigm of Non-Branched vs. Branched Chain Dominance Universally Hold in all Plant Taxa?,
Chem Biodivers, 2021
Pubmed ID: 34028186

String Representations

InChiKey (Click to copy)
HMGAHRPPRPQDAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h3-22H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCC)(=O)C

Other Databases

CHEBI ID
179294
PubChem CID
42597636

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 412.61
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 8.40
Molar Refractivity 108.70

Admin

Created at
-
Updated at
1st Jul 2021