Structure Database (LMSD)

Common Name
Bacillamidin D
Systematic Name
N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]-9-methyldecanamide
Synonyms
  • (3'R)-N-(1-isobutyl-2, 5-dioxopyrrolidin-3-yl)-9-methyldecanamide
LM ID
LMFA08020290
Formula
C19H34N2O3
Exact Mass
Calculate m/z
338.256943
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bacillus pumilus (#1408)
Bacilli (#91061)
Bacillamidins A⁻G from a Marine-Derived Bacillus pumilus.,
Mar Drugs, 2018
Pubmed ID: 30208577

String Representations

InChiKey (Click to copy)
YKUQKHYXHKQRBF-MRXNPFEDSA-N
InChi (Click to copy)
InChI=1S/C19H34N2O3/c1-14(2)10-8-6-5-7-9-11-17(22)20-16-12-18(23)21(19(16)24)13-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)/t16-/m1/s1
SMILES (Click to copy)
C(CCCCCCCC(C)C)(=O)N[C@@H]1CC(=O)N(CC(C)C)C1=O

Other Databases

PubChem CID
139590720

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 365.35
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.84
Molar Refractivity 96.26

Admin

Created at
11th Oct 2020
Updated at
11th Oct 2020