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

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ethidium

	Properties	Image
MNX_ID	MNXM52702
reference	chebi:42478
formula	C₂₁H₂₀N₃
global charge	1
mol weight	314.412
InChIKey	QTANTQQOYSUMLC-UHFFFAOYSA-O
InChI	InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
SMILES	CC[N+]1=C2C=C(N)C=CC2=C2C=CC(N)=CC2=C1C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/b23-16?
SMILES (mnx)	[CH3:1][CH2:2][N:24]1[C:20]2=[CH:13][C:16](=[NH:23])[CH:9]=[CH:11][C:18]2=[C:17]2[CH:10]=[CH:8][C:15]([NH2:22])=[CH:12][C:19]2=[C:21]1[C:14]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:42478 chebi:42478 QTANTQQOYSUMLC-UHFFFAOYSA-O	ethidium 3,8-diamino-5-ethyl-6-phenylphenanthridinium ETHIDIUM ethidium cation homidium
metacyc.compound:CPD0-1938 metacycM:CPD0-1938 seed.compound:cpd26352 seedM:cpd26352 QTANTQQOYSUMLC-UHFFFAOYSA-O	ethidium ethidium cation homidium
seedM:M_cpd26352	secondary/obsolete/fantasy identifier