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

Feedback

violacein

	Properties	Image
MNX_ID	MNXM88916
reference	chebi:131914
formula	C₂₀H₁₃N₃O₃
global charge	0
mol weight	343.342
InChIKey	XAPNKXIRQFHCHN-QGOAFFKASA-N
InChI	InChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,24H,(H,22,26)(H,23,25)/b18-13+
SMILES	O=C1NC(C2=CNC3=C2C=C(O)C=C3)=C/C1=C1\C(=O)NC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,24H,(H,22,26)(H,23,25)/b18-13+
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:16]2[C:11](=[CH:3]1)/[C:18](=[C:13]1/[CH:8]=[C:17]([C:14]3=[CH:9][NH:21][C:15]4=[C:12]3[CH:7]=[C:10]([OH:24])[CH:5]=[CH:6]4)[N:23]=[C:19]1[OH:25])[C:20]([OH:26])=[N:22]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:VIOLACEIN metacycM:VIOLACEIN CHEBI:131914 chebi:131914 XAPNKXIRQFHCHN-QGOAFFKASA-N	violacein (3E)-3-[5-(5-hydroxy-1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]-1,3-dihydro-2H-indol-2-one
seed.compound:cpd28321 seedM:cpd28321 XAPNKXIRQFHCHN-QGOAFFKASA-N	2-indolinone, 3-(2-(5-hydroxyindol-3-yl)-5-oxo-2-pyrrolin-4-ylidene)- (3E)-3-[5-(5-hydroxy-1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]-1,3-dihydro-2H-indol-2-one 5-(5-hydroxy-3-indolyl)-3-(3-oxinodolylidene)-2-oxopyrroline violacein
kegg.compound:C21136 keggC:C21136 XAPNKXIRQFHCHN-QGOAFFKASA-N	Violacein
hmdb:HMDB0259831 XAPNKXIRQFHCHN-QGOAFFKASA-N	Violacein (3E)-3-(1,2-Dihydro-5-(5-hydroxy-1H-indol-3-yl)-2-oxo-3H-pyrrol-3-ylidene)-1,3-dihydro-2H-indol-2-one 3-(1,2-Dihydro-5-(5-hydroxy-1H-indole-3-yl)-2-oxo-3H-pyrrol-3-ylidene)-1,3-dihydro-2H-indole-2-one 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]-2H-indol-2-one 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
keggC:M_C21136 seedM:M_cpd28321	secondary/obsolete/fantasy identifier