Structure Database (LMSD)

Common Name
N-(15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl)-glycine
Systematic Name
N-(15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl)-glycine
Synonyms
LM ID
LMFA08020221
Formula
C34H63NO5
Exact Mass
Calculate m/z
565.470624
Sum Composition
NA 34:3;O4
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aequorivita sp. (#1872390)
Flavobacteriia (#117743)
Linear Aminolipids with Moderate Antimicrobial Activity from the Antarctic Gram-Negative Bacterium Aequorivita sp.,
Mar Drugs, 2018
Pubmed ID: 29843452

String Representations

InChiKey (Click to copy)
IZIYPDPHWIMFEM-OKHXBCELSA-N
InChi (Click to copy)
InChI=1S/C34H63NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h14,18,29-31H,5-13,15-17,19-28H2,1-4H3,(H,35,36)(H,37,38)/b18-14-/t31-/m1/s1
SMILES (Click to copy)
C(CNC(=O)C[C@]([H])(OC(=O)CC/C=C\CCCCCCCC(C)C)CCCCCCCCCCCC(C)C)(=O)O

Other Databases

PubChem CID
10507193

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 641.15
Topological Polar Surface Area 92.70
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 9.73
Molar Refractivity 167.30

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Updated at
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