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

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lumichrome

	Properties	Image
MNX_ID	MNXM4659
reference	chebi:17781
formula	C₁₂H₁₀N₄O₂
global charge	0
mol weight	242.238
InChIKey	ZJTJUVIJVLLGSP-UHFFFAOYSA-N
InChI	InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
SMILES	CC1=C(C)C=C2N=C3C(=O)NC(=O)NC3=NC2=C1

MNX internals

InChI (mnx)	InChI=1/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
SMILES (mnx)	[CH3:1][C:5]1=[CH:3][C:7]2=[C:8]([CH:4]=[C:6]1[CH3:2])[N:14]=[C:10]1[C:9](=[N:13]2)[C:11]([OH:17])=[N:16][C:12]([OH:18])=[N:15]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17781 chebi:17781 ZJTJUVIJVLLGSP-UHFFFAOYSA-N	lumichrome 7,8-Dimethylalloxazine 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione LUMICHROME Lumichrome
vmhM:78dmthaxzn vmhmetabolite:78dmthaxzn ZJTJUVIJVLLGSP-UHFFFAOYSA-N	7,8-Dimethylalloxazine
CHEBI:37323 chebi:37323 ZJTJUVIJVLLGSP-UHFFFAOYSA-N	7,8-dimethylisoalloxazine 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione dimethylisoalloxazine
kegg.compound:C01727 keggC:C01727 ZJTJUVIJVLLGSP-UHFFFAOYSA-N	Lumichrome 7,8-Dimethylalloxazine
hmdb:HMDB0254199 ZJTJUVIJVLLGSP-UHFFFAOYSA-N	Lumichrome 7,8-Dimethylalloxazine 7,8-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione lumichrome
seed.compound:cpd01191 seedM:cpd01191 ZJTJUVIJVLLGSP-UHFFFAOYSA-N	Lumichrome 7,8-Dimethylalloxazine lumichrome
metacyc.compound:CPD-605 metacycM:CPD-605 ZJTJUVIJVLLGSP-UHFFFAOYSA-N	lumichrome 7,8-Dimethylalloxazine
chebi:14534 chebi:25080 chebi:43772 chebi:6561 keggC:M_C01727 seedM:M_cpd01191 vmhM:M_78dmthaxzn	secondary/obsolete/fantasy identifier