Structure Database (LMSD)

Common Name
1,2-tricosanediol
Systematic Name
tricosane-1,2-diol
Synonyms
LM ID
LMFA05000082
Formula
C23H48O2
Exact Mass
Calculate m/z
356.36543
Sum Composition
FOH 23:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Submitted by Henry Boumann, Netherlands

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Roseiflexus castenholzii (#120962)
Chloroflexia (#32061)
Alkane-1,2-diol-based glycosides and fatty glycosides and wax esters in Roseiflexus castenholzii and hot spring microbial mats.,
Arch Microbiol, 2002
Pubmed ID: 12189424

String Representations

InChiKey (Click to copy)
NQLZSOFWYPHLBE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h23-25H,2-22H2,1H3
SMILES (Click to copy)
C(CCCCCCC)CCCCCCCCCCCCCC(O)CO

Other Databases

PubChem CID
42607324

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 424.04
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.73
Molar Refractivity 112.11

Admin

Created at
-
Updated at
-