MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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lisdexamfetamine

	Properties	Image
MNX_ID	MNXM106237
reference	chebi:135925
formula	C₁₅H₂₅N₃O
global charge	0
mol weight	263.385
InChIKey	VOBHXZCDAVEXEY-JSGCOSHPSA-N
InChI	InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1
SMILES	C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN

MNX internals

InChI (mnx)	InChI=1/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:12]([CH2:11][C:13]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[N:18]=[C:15]([C@H:14]([CH2:9][CH2:5][CH2:6][CH2:10][NH2:16])[NH2:17])[OH:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135925 chebi:135925 VOBHXZCDAVEXEY-JSGCOSHPSA-N	lisdexamfetamine lisdexamfetamine dimesylate lisdexamphetamine vyvanse
seed.compound:cpd34283 seedM:cpd34283 VOBHXZCDAVEXEY-JSGCOSHPSA-P	(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide lisdexamfetamine vyvanse
kegg.drug:D08130 keggD:D08130 VOBHXZCDAVEXEY-JSGCOSHPSA-N	Lisdexamfetamine (INN)
hmdb:HMDB0015385 VOBHXZCDAVEXEY-JSGCOSHPSA-N	Lisdexamfetamine (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide Dimesylate, lis-dexamfetamine Dimesylate, lisdexamfetamine Elvanse Lis dexamfetamine dimesylate Lis-dexamfetamine dimesylate Lisdexamfetamine dimesylate NRP 104 NRP-104 NRP104 Vyvanse vyvanse
metacyc.compound:CPD-20953 metacycM:CPD-20953 VOBHXZCDAVEXEY-JSGCOSHPSA-P	lisdexamfetamine (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide vyvanse
hmdb:HMDB15385 keggD:M_D08130 seedM:M_cpd34283	secondary/obsolete/fantasy identifier