In-Silico Structure database (LMISSD)

MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMFA0805A046
Common Name	Arg 14:0
Systematic Name	N-(tetradecanoyl)-arginine
Synonyms	-
Exact Mass	370.2944 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C19H38N4O3
Category	Fatty Acyls [FA]
Main Class	Fatty amides [FA08]
Sub Class	N-acyl amino acids [FA0805]
PubChem Compound ID (CID)	-
InChIKey	TTWZLQYGOHSBHJ-INIZCTEOSA-N
InChI	InChI=1S/C19H38N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(24)23-16(18(25)26)14-15-22 -19(20)21/h16H,2-15H2,1H3,(H,23,24)(H,25,26)(H4,20,21,22)/t16-/m0/s1
SMILES	CCCCCCCCCCCCCC(=N[C@@H](CCNC(=N)N)C(=O)O)O
MS Spectra	-
Status	Active (generated by computational methods)