Structure Database (LMSD)
Common Name
N-palmitoyl histidine
Systematic Name
N-hexadecanoyl-histidine
Synonyms
LM ID
LMFA08020132
Formula
Exact Mass
Calculate m/z
393.299142
Sum Composition
Status
Active
3D model of N-palmitoyl histidine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
XHUZOURAPKCNRA-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C22H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(26)25-20(22(27)28)16-19-17-23-18-24-19/h17-18,20H,2-16H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t20-/m0/s1
SMILES (Click to copy)
C1(N=CNC=1)C[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
1
Rotatable Bonds
18
Van der Waals Molecular Volume
414.71
Topological Polar Surface Area
95.08
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
5.13
Molar Refractivity
112.61
Admin
Created at
-
Updated at
20th Feb 2024