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	LMFA0805A042
Common Name	Arg 10:0
Systematic Name	N-(decanoyl)-arginine
Synonyms	-
Exact Mass	314.2318 (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	C15H30N4O3
Category	Fatty Acyls [FA]
Main Class	Fatty amides [FA08]
Sub Class	N-acyl amino acids [FA0805]
PubChem Compound ID (CID)	-
InChIKey	DAFBVVVMQYTLDT-LBPRGKRZSA-N
InChI	InChI=1S/C15H30N4O3/c1-2-3-4-5-6-7-8-9-13(20)19-12(14(21)22)10-11-18-15(16)17/h1 2H,2-11H2,1H3,(H,19,20)(H,21,22)(H4,16,17,18)/t12-/m0/s1
SMILES	CCCCCCCCCC(=N[C@@H](CCNC(=N)N)C(=O)O)O
MS Spectra	-
Status	Active (generated by computational methods)