Structure Database (LMSD)

Common Name
Tanikolide
Systematic Name
5-hydroxymethyl-hexadeca-5R-olide
Synonyms
LM ID
LMFA07040124
Formula
C17H32O3
Exact Mass
Calculate m/z
284.235145
Sum Composition
FA 17:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lyngbya majuscula (#158786)
Cyanophyceae (#3028117)
Tanikolide, a toxic and antifungal lactone from the marine cyanobacterium Lyngbya majuscula.,
J Nat Prod, 1999
Pubmed ID: 10514329

String Representations

InChiKey (Click to copy)
NLAYXWYCDWDTBF-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(19)20-17/h18H,2-15H2,1H3/t17-/m1/s1
SMILES (Click to copy)
C(CCC)CCCCCCC[C@]1(CO)CCCC(=O)O1

Other Databases

PubChem CID
5276592

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 314.03
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.94
Molar Refractivity 82.61

Admin

Created at
20th Jul 2020
Updated at
20th Jul 2020