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

Feedback

genisteine

	Properties	Image
MNX_ID	MNXM525840
reference	chebi:81074
formula	C₁₅H₂₆N₂
global charge	0
mol weight	234.387
InChIKey	SLRCCWJSBJZJBV-BYNSBNAKSA-N
InChI	InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15+/m0/s1
SMILES	C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]2C1

MNX internals

InChI (mnx)	InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15+/m0/s1
SMILES (mnx)	[CH2:1]1[CH2:3][CH2:7][N:16]2[CH2:11][C@@H:13]3[CH2:9][C@@H:12]([CH2:10][N:17]4[CH2:8][CH2:4][CH2:2][CH2:6][C@H:15]34)[C@H:14]2[CH2:5]1

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:81074 chebi:81074 SLRCCWJSBJZJBV-BYNSBNAKSA-N	genisteine (-)-alpha-isosparteine (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadecane (7S,7aR,14S,14aR)-dodecahydro-2H,6H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine 11-isosparteine 6beta-sparteine alpha-isospartein alpha-isosparteine alpha-sparteine genisteine-alkaloid l-alpha-isosparteine
hmdb:HMDB0243524 SLRCCWJSBJZJBV-UHFFFAOYSA-N	(-)-Sparteine 7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecane Anhydrous, sparteine sulfate D-Sparteine Depasan retard Genisteine alkaloid L-Sparteine Pachycarpine Pachycarpine sulfate (1:1), pentahydrate, (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine Sparteine hydrochloride, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine hydrochloride, (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine hydroiodide, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine monohydrochloride, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine monohydroiodide, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine sulfate Sparteine sulfate (1:1), (7S-(7alpha,7aalpha,14alpha,14aalpha))-isomer Sparteine sulfate (1:1), (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine sulfate anhydrous Sparteine, (+)-isomer Sparteine, (-)-isomer Sparteine, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine, (7R-(7alpha,7abeta,14alpha,14abeta))-isomer Sparteine, (7S-(7alpha,7aalpha,14alpha,14aalpha))-isomer Sparteine, (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer Sparteine, (7S-(7alpha,7abeta,14alpha,14abeta))-isomer Sulfate anhydrous, sparteine alpha Isosparteine alpha-Isosparteine beta Isosparteine beta-Isosparteine genisteine-alkaloid
seed.compound:cpd17549 seedM:cpd17549 kegg.compound:C17418 keggC:C17418 SLRCCWJSBJZJBV-BYNSBNAKSA-N SLRCCWJSBJZJBV-BYNSBNAKSA-O	Genisteine Genisteine-alkaloid alpha-Isosparteine
keggC:M_C17418 seedM:M_cpd17549	secondary/obsolete/fantasy identifier