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

Feedback

(-)-tabersonine

MNXM728251 is deprecated and replaced by MNXM728250

	Properties	Image
MNX_ID	MNXM728250
reference	chebi:57893
formula	C₂₁H₂₅N₂O₂
global charge	1
mol weight	337.443
InChIKey	FNGGIPWAZSFKCN-ACRUOGEOSA-O
InChI	InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/p+1/t19-,20-,21-/m0/s1
SMILES	CC[C@]12C=CC[NH+]3CC[C@@]4(C5=CC=CC=C5NC4=C(C(=O)OC)C1)[C@@H]32

MNX internals

InChI (mnx)	InChI=1/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][C@:20]12[CH:9]=[CH:6][CH2:11][N:23]3[CH2:12][CH2:10][C@@:21]4([C:15]5=[CH:7][CH:4]=[CH:5][CH:8]=[C:16]5[NH:22][C:17]4=[C:14]([C:18](=[O:24])[O:25][CH3:2])[CH2:13]1)[C@H:19]23

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	28
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57893 chebi:57893 FNGGIPWAZSFKCN-ACRUOGEOSA-O	(-)-tabersonine methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidin-9-ium-3-carboxylate tabersonine cation tabersonine(1+) tabersoninium tabersoninium cation tabersoninium(1+)
sabiork.compound:11334 sabiorkM:11334 kegg.compound:C09244 keggC:C09244 FNGGIPWAZSFKCN-ACRUOGEOSA-N	Tabersonine
seed.compound:cpd06139 seedM:cpd06139 FNGGIPWAZSFKCN-ACRUOGEOSA-O	Tabersonine tabersonine
metacyc.compound:TABERSONINE metacycM:TABERSONINE FNGGIPWAZSFKCN-ACRUOGEOSA-O	tabersonine
CHEBI:16776 chebi:16776 FNGGIPWAZSFKCN-ACRUOGEOSA-N	tabersonine (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylic acid, methyl ester Tabersonin Tabersonine methyl (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate
chebi:15192 chebi:20636 chebi:9387 keggC:M_C09244 seedM:M_cpd06139	secondary/obsolete/fantasy identifier