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

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Ethylmorphine

	Properties	Image
MNX_ID	MNXM737756
reference	chebi:4902
formula	C₁₉H₂₃NO₃
global charge	0
mol weight	313.397
InChIKey	OGDVEMNWJVYAJL-LEPYJNQMSA-N
InChI	InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
SMILES	CCOC1=CC=C2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5OC1=C2[C@]45CCN3C

MNX internals

InChI (mnx)	InChI=1/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][O:22][C:15]1=[C:17]2[C:16]3=[C:11]([CH:4]=[CH:7]1)[CH2:10][C@@H:13]1[C@@H:12]4[CH:5]=[CH:6][C@H:14]([OH:21])[C@@H:18]([C@@:19]43[CH2:8][CH2:9][N:20]1[CH3:2])[O:23]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4902 chebi:4902 OGDVEMNWJVYAJL-LEPYJNQMSA-N	Ethylmorphine codethyline dionine ethomorphine
seed.compound:cpd04707 seedM:cpd04707 sabiork.compound:24844 sabiorkM:24844 kegg.compound:C07537 keggC:C07537 OGDVEMNWJVYAJL-LEPYJNQMSA-N OGDVEMNWJVYAJL-LEPYJNQMSA-O	Ethylmorphine
kegg.drug:D07929 keggD:D07929 OGDVEMNWJVYAJL-LEPYJNQMSA-N	Ethylmorphine (BAN)
hmdb:HMDB0015509 OGDVEMNWJVYAJL-LEPYJNQMSA-N	Ethylmorphine (1S,5R,13R,14S,17R)-10-ethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-14-ol Dionine Ethomorphine Ethyl morphine Ethylmorphine hydrochloride, (5alpha,6alpha)-isomer Ethylmorphine hydrochloride, dihydrate, (5alpha,6alpha)-isomer Ethylmorphine sulfate (2:1), (5alpha,6alpha)-isomer Ethylmorphine, (5alpha,6beta)-isomer Novartis brand OF ethylmorphine hydrochloride, (5alpha,6alpha)-isomer Trachyl ethylmorphine
metacyc.compound:CPD-23746 metacycM:CPD-23746 OGDVEMNWJVYAJL-LEPYJNQMSA-O	ethylmorphine codethyline dionine ethomorphine
hmdb:HMDB15509 keggC:M_C07537 keggD:M_D07929 seedM:M_cpd04707	secondary/obsolete/fantasy identifier