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

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Nalorphine

	Properties	Image
MNX_ID	MNXM739090
reference	chebi:7458
formula	C₁₉H₂₁NO₃
global charge	0
mol weight	311.381
InChIKey	UIQMVEYFGZJHCZ-SSTWWWIQSA-N
InChI	InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
SMILES	C=CCN1CC[C@]23C4=C5O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1CC4=CC=C5O

MNX internals

InChI (mnx)	InChI=1/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
SMILES (mnx)	[CH2:1]=[CH:2][CH2:8][N:20]1[CH2:9][CH2:7][C@@:19]23[C@H:12]4[CH:4]=[CH:6][C@H:15]([OH:22])[C@@H:18]2[O:23][C:17]2=[C:14]([OH:21])[CH:5]=[CH:3][C:11](=[C:16]23)[CH2:10][C@H:13]41

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7458 chebi:7458 UIQMVEYFGZJHCZ-SSTWWWIQSA-N	Nalorphine N-Allylnormorphine allorphine antorphine lethidrone nalorphin nalorphine HCl nalorphine hydrochloride
seed.compound:cpd08591 seedM:cpd08591 sabiork.compound:13846 sabiorkM:13846 kegg.compound:C11787 keggC:C11787 UIQMVEYFGZJHCZ-SSTWWWIQSA-N UIQMVEYFGZJHCZ-SSTWWWIQSA-O	Nalorphine
kegg.drug:D08247 keggD:D08247 UIQMVEYFGZJHCZ-SSTWWWIQSA-N	Nalorphine (INN) Nalorphine serb (TN)
keggC:M_C11787 keggD:M_D08247 seedM:M_cpd08591	secondary/obsolete/fantasy identifier