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

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3-methylfentanyl

	Properties	Image
MNX_ID	MNXM36646
reference	chebi:61092
formula	C₂₃H₃₀N₂O
global charge	0
mol weight	350.506
InChIKey	MLQRZXNZHAOCHQ-UHFFFAOYSA-N
InChI	InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
SMILES	CCC(=O)N(C1=CC=CC=C1)C1CCN(CCC2=CC=CC=C2)CC1C

MNX internals

InChI (mnx)	InChI=1/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19?,22?
SMILES (mnx)	[CH3:1][CH2:3][C:23]([N:25]([C:21]1=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]1)[CH:22]1[CH2:15][CH2:17][N:24]([CH2:16][CH2:14][C:20]2=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]2)[CH2:18][CH:19]1[CH3:2])=[O:26]

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:61092 chebi:61092 MLQRZXNZHAOCHQ-UHFFFAOYSA-N	3-methylfentanyl 3-MF N-(3-methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide mefentanyl
hmdb:HMDB0243534 MLQRZXNZHAOCHQ-UHFFFAOYSA-N	(+)-cis-3-Methylfentanyl 3-MF 3-Methyl-fentanyl 3-Methylfentanyl 3-Methylfentanyl hydrochloride 3-Methylfentanyl monohydrochloride 3-Methylfentanyl monohydrochloride, (cis)-isomer 3-Methylfentanyl mononitrate, (cis)-(+)-isomer 3-Methylfentanyl oxalate (1:1), (cis)-(+-)-isomer 3-Methylfentanyl oxalate (1:1), (cis)-(-)-isomer 3-Methylfentanyl oxalate (1:1), (trans)-(+)-isomer 3-Methylfentanyl oxalate (1:1), (trans)-(+-)-isomer 3-Methylfentanyl, (cis)-(+)-isomer 3-Methylfentanyl, (cis)-(-)-isomer 3-Methylfentanyl, (cis)-isomer 3-Methylfentanyl, (trans)-(+-)-isomer 3-methylfentanyl Mefentanyl N-(3-Methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide a-Methylfentanyl alpha-Methylfentanyl alpha-methylfentanyl
kegg.compound:C22793 keggC:C22793 MLQRZXNZHAOCHQ-UHFFFAOYSA-N	Mefentanyl 3-Methylfentanyl N-(3-Methyl-1-phenethyl-4-piperidyl)propionanilide
keggC:M_C22793	secondary/obsolete/fantasy identifier