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

Feedback

L-dopachrome

	Properties	Image
MNX_ID	MNXM726109
reference	chebi:57509
formula	C₉H₆NO₄
global charge	-1
mol weight	192.15
InChIKey	VJNCICVKUHKIIV-LURJTMIESA-M
InChI	InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/p-1/t6-/m0/s1
SMILES	O=C1C=C2C[C@@H](C(=O)[O-])NC2=CC1=O

MNX internals

InChI (mnx)	InChI=1/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/t6-/m0/s1
SMILES (mnx)	[CH2:1]1[C:4]2=[CH:2][C:7](=[O:11])[C:8](=[O: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)	8
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57509 chebi:57509 VJNCICVKUHKIIV-LURJTMIESA-M	L-dopachrome (2S)-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylate L-dopachromate
bigg.metabolite:L_dpchrm biggM:L_dpchrm VJNCICVKUHKIIV-LURJTMIESA-M	L-Dopachrome
hmdb:HMDB0001430 VJNCICVKUHKIIV-LURJTMIESA-N	L-Dopachrome (2S)-2,3,5,6-Tetrahydro-5,6-dioxo-1H-indole-2-carboxylic acid (2S)-5,6-Dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid (2S)-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid 2-L-Carboxy-2,3-dihydroindole-5,6-quinone L-dopachrome
sabiork.compound:5735 sabiorkM:5735 kegg.compound:C01693 keggC:C01693 VJNCICVKUHKIIV-LURJTMIESA-N	L-Dopachrome 2-L-Carboxy-2,3-dihydroindole-5,6-quinone
seed.compound:cpd01169 seedM:cpd01169 VJNCICVKUHKIIV-LURJTMIESA-M	L-Dopachrome 2-L-Carboxy-2,3-dihydroindole-5,6-quinone 2-L-carboxy-2,3-dihydroindole-5,6-quinone L-dopachrome dopachrome indole-5,6-quinoneimine
vmhM:L_dpchrm vmhmetabolite:L_dpchrm VJNCICVKUHKIIV-LURJTMIESA-M	L-dopachromate (2S)-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid
metacyc.compound:L-DOPACHROME metacycM:L-DOPACHROME VJNCICVKUHKIIV-LURJTMIESA-M	L-dopachrome (2S)-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylate 2-L-carboxy-2,3-dihydroindole-5,6-quinone indole-5,6-quinoneimine
CHEBI:15772 chebi:15772 VJNCICVKUHKIIV-LURJTMIESA-N	L-dopachrome (2S)-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid 2-L-Carboxy-2,3-dihydroindole-5,6-quinone L-Dopachrome
hmdb:HMDB01430 chebi:13099 chebi:21281 chebi:6212 biggM:M_L_dpchrm keggC:M_C01693 seedM:M_cpd01169 vmhM:M_L_dpchrm	secondary/obsolete/fantasy identifier