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	LMFA0805A045
Common Name	Arg 13:0
Systematic Name	N-(tridecanoyl)-arginine
Synonyms	-
Exact Mass	356.2787 (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	C18H36N4O3
Category	Fatty Acyls [FA]
Main Class	Fatty amides [FA08]
Sub Class	N-acyl amino acids [FA0805]
PubChem Compound ID (CID)	-
InChIKey	PJTADQOLRIXDCN-HNNXBMFYSA-N
InChI	InChI=1S/C18H36N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(23)22-15(17(24)25)13-14-21-18 (19)20/h15H,2-14H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)/t15-/m0/s1
SMILES	CCCCCCCCCCCCC(=N[C@@H](CCNC(=N)N)C(=O)O)O
MS Spectra	-
Status	Active (generated by computational methods)