Structure Database (LMSD)

Common Name
1,2-tetracosanediol
Systematic Name
tetracosane-1,2-diol
Synonyms
LM ID
LMFA05000083
Formula
C24H50O2
Exact Mass
Calculate m/z
370.38108
Sum Composition
FOH 24:0;O
Status
Curated
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)
PTSXVUICYWATQI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25/h24-26H,2-23H2,1H3
SMILES (Click to copy)
C(CCCCCCCC)CCCCCCCCCCCCCC(O)CO

Other Databases

CHEBI ID
84959
PubChem CID
3086441

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 441.34
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.12
Molar Refractivity 116.73

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Updated at
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