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	LMFA0805A044
Common Name	Arg 12:0
Systematic Name	N-(dodecanoyl)-arginine
Synonyms	-
Exact Mass	342.2631 (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	C17H34N4O3
Category	Fatty Acyls [FA]
Main Class	Fatty amides [FA08]
Sub Class	N-acyl amino acids [FA0805]
PubChem Compound ID (CID)	-
InChIKey	UORNRENYLPRXOC-AWEZNQCLSA-N
InChI	InChI=1S/C17H34N4O3/c1-2-3-4-5-6-7-8-9-10-11-15(22)21-14(16(23)24)12-13-20-17(18 )19/h14H,2-13H2,1H3,(H,21,22)(H,23,24)(H4,18,19,20)/t14-/m0/s1
SMILES	CCCCCCCCCCCC(=N[C@@H](CCNC(=N)N)C(=O)O)O
MS Spectra	-
Status	Active (generated by computational methods)