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

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amineptine

	Properties	Image
MNX_ID	MNXM41788
reference	chebi:32499
formula	C₂₂H₂₇NO₂
global charge	0
mol weight	337.463
InChIKey	ONNOFKFOZAJDHT-UHFFFAOYSA-N
InChI	InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
SMILES	O=C(O)CCCCCCNC1C2=CC=CC=C2CCC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:8][CH2:16][NH:23][CH:22]1[C:19]2=[CH:11][CH:6]=[CH:4][CH:9]=[C:17]2[CH2:14][CH2:15][C:18]2=[CH:10][CH:5]=[CH:7][CH:12]=[C:20]21)[CH2:3][CH2:13][C:21](=[O:24])[OH:25]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32499 chebi:32499 ONNOFKFOZAJDHT-UHFFFAOYSA-N	amineptine 7-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylamino)heptanoic acid Amineptin Survector amineptino amineptinum
kegg.drug:D07335 keggD:D07335 ONNOFKFOZAJDHT-UHFFFAOYSA-N	Amineptine (INN) Survector (TN)
hmdb:HMDB0248303 ONNOFKFOZAJDHT-UHFFFAOYSA-N	Amineptine 10,11-Dihydrodibenzo(a,D)cyclohept-5-enyl-7-aminoheptanoic acid 7-(6,11-Dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-ylamino)heptanoate 7-({tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}amino)heptanoic acid Amineptin Amineptin hydrochloride Amineptin sodium salt Amineptino Amineptinum Survector amineptine
keggD:M_D07335	secondary/obsolete/fantasy identifier