Structure Database (LMSD)

Common Name
N-(15-methyl-3-(12-methyl-tridecanoyloxy)-hexadecanoyl)-glycine
Systematic Name
N-(15-methyl-3-(12-methyltridecanoyloxy)-hexadecanoyl)-glycine
Synonyms
LM ID
LMFA08020236
Formula
Exact Mass
Calculate m/z
539.491359
Sum Composition
Status
Curated

Classification

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)
PRINJPAYVNUVQA-WJOKGBTCSA-N
InChi (Click to copy)
InChI=1S/C33H65NO4/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(35)34-28-33(36)37)38-26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H,34,35)(H,36,37)/t31-/m1/s1
SMILES (Click to copy)
C(CNC(=O)C[C@]([H])(OCCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C)(=O)O

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 620.34
Topological Polar Surface Area 75.63
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 10.32
Molar Refractivity 163.13

Admin

Created at
-
Updated at
8th Sep 2020