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
LM ID
LMFA08020357
Formula
C21H42N2O4
Exact Mass
Calculate m/z
386.314458
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]
Hydroxy fatty acids [FA0105]
Amino fatty acids [FA0110]
Branched fatty acids [FA0102]

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
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
170315540

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