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

Feedback

morphine

	Properties	Image
MNX_ID	MNXM169484
reference	chebi:58097
formula	C₁₇H₂₀NO₃
global charge	1
mol weight	286.351
InChIKey	BQJCRHHNABKAKU-KBQPJGBKSA-O
InChI	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/p+1/t10-,11+,13-,16-,17-/m0/s1
SMILES	C[NH+]1CC[C@]23C4=C5C=CC(O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

MNX internals

InChI (mnx)	InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
SMILES (mnx)	[CH3:1][N:18]1[CH2:7][CH2:6][C@@:17]23[C@H:10]4[CH:3]=[CH:5][C@H:13]([OH:20])[C@@H:16]2[O:21][C:15]2=[C:12]([OH:19])[CH:4]=[CH:2][C:9](=[C:14]23)[CH2:8][C@H:11]41

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58097 chebi:58097 BQJCRHHNABKAKU-KBQPJGBKSA-O	morphine 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-3,6alpha-diol morphine cation morphine(1+)
hmdb:HMDB0040987 BQJCRHHNABKAKU-KBQPJGBKSA-O	(-)-Morphine 4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol
sabiork.compound:5631 sabiorkM:5631 kegg.compound:C01516 keggC:C01516 vmhM:mrphn vmhmetabolite:mrphn BQJCRHHNABKAKU-KBQPJGBKSA-N BQJCRHHNABKAKU-KBQPJGBKSA-O	Morphine
kegg.drug:D08233 keggD:D08233 BQJCRHHNABKAKU-KBQPJGBKSA-N	Morphine (BAN) Morfina Dosa (TN) Substitol (TN)
hmdb:HMDB0014440 BQJCRHHNABKAKU-KBQPJGBKSA-N	Morphine (-)-Morphine (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol (5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol (5a,6a)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol (5a,6a)-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol (5alpha,6alpha)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol (5alpha,6alpha)-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol (5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol (7R,7AS,12BS)-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol Chloride, morphine Contin, MS D-(-)-Morphine Duramorph MS Contin Morfina Morfina dosa Morphia Morphin Morphina Morphine chloride Morphine sulfate Morphine sulfate (2:1), anhydrous Morphine sulfate (2:1), pentahydrate Morphinum Morphium Oramorph SR Substitol Sulfate, morphine morph
seed.compound:cpd01072 seedM:cpd01072 BQJCRHHNABKAKU-KBQPJGBKSA-O	Morphine morphine
metacyc.compound:MORPHINE metacycM:MORPHINE BQJCRHHNABKAKU-KBQPJGBKSA-O	morphine
CHEBI:17303 chebi:17303 BQJCRHHNABKAKU-KBQPJGBKSA-N	morphine (-)-morphine (5R,6S,9R,13S,14R)-4,5-epoxy-N-methyl-7-morphinen-3,6-diol (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol (5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol Morphia Morphin Morphine morfina morphinum morphium
hmdb:HMDB14440 hmdb:HMDB40987 chebi:14622 chebi:25419 chebi:44202 chebi:7001 keggC:M_C01516 keggD:M_D08233 seedM:M_cpd01072 vmhM:M_mrphn	secondary/obsolete/fantasy identifier