Structure Database (LMSD)
Common Name
alpha-N-(3-hydroxy-14-methyl-pentadecanoyl)-ornithine
Systematic Name
5-amino-2-(3-hydroxy-14-methyl-pentadecanamido)pentanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of alpha-N-(3-hydroxy-14-methyl-pentadecanoyl)-ornithine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Lacinutrix sp.
(#1937692)
Flavobacteriia
(#117743)
Two Novel Lyso-Ornithine Lipids Isolated from an Arctic Marine Lacinutrix sp. Bacterium.,
Molecules, 2021
Molecules, 2021
Pubmed ID:
34500726
String Representations
InChiKey (Click to copy)
KNRXJYLKEKMAHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42N2O4/c1-17(2)12-9-7-5-3-4-6-8-10-13-18(24)16-20(25)23-19(21(26)27)14-11-15-22/h17-19,24H,3-16,22H2,1-2H3,(H,23,25)(H,26,27)
SMILES (Click to copy)
OC(C(NC(CC(O)CCCCCCCCCCC(C)C)=O)CCCN)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
423.74
Topological Polar Surface Area
112.65
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
4.46
Molar Refractivity
111.00
Admin
Created at
22nd Sep 2021
Updated at
22nd Sep 2021