Structure Database (LMSD)
Common Name
alpha-N-(3-hydroxyhexadecanoyl) L-ornithine
Systematic Name
(2S)-5-amino-2-(3-hydroxyhexadecanoyl) pentanoic acid
Synonyms
- lyso-ornithine lipid
- LOL
LM ID
LMFA08020242
Formula
Exact Mass
Calculate m/z
386.314458
Sum Composition
Status
Active
3D model of alpha-N-(3-hydroxyhexadecanoyl) L-ornithine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
UUMBWNXCQGDFKZ-GGYWPGCISA-N
InChi (Click to copy)
InChI=1S/C21H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(24)17-20(25)23-19(21(26)27)15-13-16-22/h18-19,24H,2-17,22H2,1H3,(H,23,25)(H,26,27)/t18?,19-/m0/s1
SMILES (Click to copy)
OC(=O)[C@@H](NC(=O)CC(O)CCCCCCCCCCCCC)CCCN
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
423.74
Topological Polar Surface Area
112.65
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
4.60
Molar Refractivity
111.07
Admin
Created at
18th Jul 2019
Updated at
20th Feb 2024