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

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dezocine

	Properties	Image
MNX_ID	MNXM49281
reference	chebi:4474
formula	C₁₆H₂₃NO
global charge	0
mol weight	245.366
InChIKey	VTMVHDZWSFQSQP-VBNZEHGJSA-N
InChI	InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
SMILES	C[C@@]12CCCCC[C@@H](CC3=C1C=C(O)C=C3)[C@@H]2N

MNX internals

InChI (mnx)	InChI=1/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
SMILES (mnx)	[CH3:1][C@@:16]12[CH2:8][CH2:4][CH2:2][CH2:3][CH2:5][C@@H:12]([CH2:9][C:11]3=[CH:6][CH:7]=[C:13]([OH:18])[CH:10]=[C:14]31)[C@@H:15]2[NH2:17]

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:4474 chebi:4474 VTMVHDZWSFQSQP-VBNZEHGJSA-N	dezocine (-)-13beta-amino-5,6,7,8,9,10,11alpha,12-octahydro-5alpha-methyl-5,11-methanobenzocyclodecen-3-ol (5R,11S,13S)-13-amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzocyclodecen-3-ol Dezocine dezocina dezocinum
seed.compound:cpd05004 seedM:cpd05004 kegg.compound:C08010 keggC:C08010 VTMVHDZWSFQSQP-VBNZEHGJSA-N VTMVHDZWSFQSQP-VBNZEHGJSA-O	Dezocine
kegg.drug:D00838 keggD:D00838 VTMVHDZWSFQSQP-VBNZEHGJSA-N	Dezocine (USAN) Dalgan (TN)
hmdb:HMDB0015340 VTMVHDZWSFQSQP-VBNZEHGJSA-N	Dezocine (-)-13b-Amino-5,6,7,8,9,10,11a,12-octahydro-5a-methyl-5,11-methanobenzocyclodecen-3-ol (-)-13beta-Amino-5,6,7,8,9,10,11alpha,12-octahydro-5alpha-methyl-5,11-methanobenzocyclodecen-3-ol (-)-13beta-amino-5,6,7,8,9,10,11alpha,12-octahydro-5alpha-methyl-5,11-methanobenzocyclodecen-3-ol (-5alpha, 11alpha,13S)-13-Amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecen-3-ol (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.0²,⁷]pentadeca-2,4,6-trien-4-ol 13-Amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecenol 5,11-Methanobenzocyclodecen-3-ol, 13-amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-, (5alpha,11alpha,13S) Dalgan Dezocina Dezocine hydrobromide, (5R-(5alpha,11alpha,13S))-isomer Dezocine hydrobromide, (5S-(5alpha,11alpha,13))-isomer Dezocine hydrobromide, (5alpha,11alpha,13)-isomer Dezocine hydrobromide, (5alpha,11alpha,13S)-isomer Dezocine, (5alpha,11alpha,13S)-isomer Dezocinum dezocina
hmdb:HMDB15340 chebi:618361 keggC:M_C08010 keggD:M_D00838 seedM:M_cpd05004	secondary/obsolete/fantasy identifier