Structure Database (LMSD)

Common Name
Bacillamidin C
Systematic Name
N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide
Synonyms
  • (3'R)-N-(2, 5-dioxopyrrolidin-3-yl)-10-methyldodecamide
LM ID
LMFA08020291
Formula
C17H30N2O3
Exact Mass
Calculate m/z
310.225643
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)
LCKMULXMUGZXNI-ARLHGKGLSA-N
InChi (Click to copy)
InChI=1S/C17H30N2O3/c1-3-13(2)10-8-6-4-5-7-9-11-15(20)18-14-12-16(21)19-17(14)22/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21,22)/t13?,14-/m1/s1
SMILES (Click to copy)
C(CCCCCCCCC(CC)C)(=O)N[C@@H]1CC(=O)NC1=O

Other Databases

PubChem CID
139590719

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 330.75
Topological Polar Surface Area 75.27
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.97
Molar Refractivity 86.60

Admin

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