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

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leucodopachrome

	Properties	Image
MNX_ID	MNXM2390
reference	chebi:231766
formula	C₉H₉NO₄
global charge	0
mol weight	195.174
InChIKey	JDWYRSDDJVCWPB-LURJTMIESA-N
InChI	InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1
SMILES	O=C([O-])[C@@H]1CC2=C(C=C(O)C(O)=C2)[NH2+]1

MNX internals

InChI (mnx)	InChI=1/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1
SMILES (mnx)	[CH2:1]1[C:4]2=[CH:2][C:7]([OH:11])=[C:8]([OH:12])[CH:3]=[C:5]2[NH:10][C@@H:6]1[C:9](=[O:13])[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:231766 chebi:231766 JDWYRSDDJVCWPB-LURJTMIESA-N	leucodopachrome (2S)-5,6-dihydroxy-2,3-dihydro-1H-indolium-2-carboxylate (S)-5,6-dihydroxyindolinium-2-carboxylate cyclo-dopa zwitterion leucodopachrome zwitterion
bigg.metabolite:2c23dh56dhoxin biggM:2c23dh56dhoxin JDWYRSDDJVCWPB-LURJTMIESA-M	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
vmhM:2c23dh56dhoxin vmhmetabolite:2c23dh56dhoxin JDWYRSDDJVCWPB-LURJTMIESA-M	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole (2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
kegg.compound:C05604 keggC:C05604 JDWYRSDDJVCWPB-LURJTMIESA-N	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole Leucodopachrome cyclo-Dopa
hmdb:HMDB0004067 JDWYRSDDJVCWPB-LURJTMIESA-N	Leucodopachrome (2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid (S)-2-Carboxy-5,6-dihydroxyindoline (S)-5,6-Dihydroxyindoline-2-carboxylate (S)-5,6-Dihydroxyindoline-2-carboxylic acid 2,3-dihydro-5,6-Dihydroxyindole-2-carboxylate 2-Carboxy-2,3-dihydro-5,6-dihydroxyindole Cyclo-dopa Cyclodopa L-2-Carboxy-2,3-dihydro-5,6-dihydroxyindole Leukodopachrome cyclodopa
seed.compound:cpd03330 seedM:cpd03330 JDWYRSDDJVCWPB-LURJTMIESA-N	Leucodopachrome 2-Carboxy-2,3-dihydro-5,6-dihydroxyindole 2-carboxy-2,3-dihydro-5,6-dihydroxyindole cyclo-Dopa cyclo-dopa leucodopachrome
reactome:R-ALL-5672007 reactomeM:R-ALL-5672007 CHEBI:60872 chebi:60872 JDWYRSDDJVCWPB-LURJTMIESA-N	leucodopachrome (2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid (S)-2-carboxy-5,6-dihydroxyindoline (S)-5,6-dihydroxyindoline-2-carboxylic acid L-2-carboxy-2,3-dihydro-5,6-dihydroxyindole Leucodopachrome Leukodopachrome cyclo-Dopa cyclodopa
metacyc.compound:CPD-8652 metacycM:CPD-8652 JDWYRSDDJVCWPB-LURJTMIESA-M	leucodopachrome 2-carboxy-2,3-dihydro-5,6-dihydroxyindole cyclo-dopa
hmdb:HMDB0006340 hmdb:HMDB04067 hmdb:HMDB06340 biggM:M_2c23dh56dhoxin keggC:M_C05604 seedM:M_cpd03330 vmhM:M_2c23dh56dhoxin	secondary/obsolete/fantasy identifier