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

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Methyl red

	Properties	Image
MNX_ID	MNXM1108015
reference	sabiorkM:23427
formula	C₁₅H₁₅N₃O₂
global charge	0
mol weight	269.304
InChIKey	CEQFOVLGLXCDCX-UHFFFAOYSA-N
InChI	InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)
SMILES	CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)O)C=C1

MNX internals

InChI (mnx)	InChI=1/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16?
SMILES (mnx)	[CH3:1][N:18]([CH3:2])[C:12]1=[CH:10][CH:8]=[C:11]([N:16]=[N:17][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:13]2[C:15](=[O:19])[OH:20])[CH:7]=[CH:9]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
sabiork.compound:23427 sabiorkM:23427 CEQFOVLGLXCDCX-UHFFFAOYSA-N	Methyl red
hmdb:HMDB0254611 CEQFOVLGLXCDCX-UHFFFAOYSA-N	Methyl red 2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoic acid C.I. acid red 2 Methyl red, sodium salt methyl red