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

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Metyrapol

	Properties	Image
MNX_ID	MNXM157959
reference	chebi:172467
formula	C₁₄H₁₆N₂O
global charge	0
mol weight	228.295
InChIKey	DDFNHFXLQJLFSX-UHFFFAOYSA-N
InChI	InChI=1S/C14H16N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10,13,17H,1-2H3
SMILES	CC(C)(C1=CC=CN=C1)C(O)C1=CC=CN=C1

MNX internals

InChI (mnx)	InChI=1/C14H16N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10,13,17H,1-2H3/t13?
SMILES (mnx)	[CH3:1][C:14]([CH3:2])([C:12]1=[CH:10][N:16]=[CH:8][CH:4]=[CH:6]1)[CH:13]([C:11]1=[CH:9][N:15]=[CH:7][CH:3]=[CH:5]1)[OH:17]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172467 chebi:172467 DDFNHFXLQJLFSX-UHFFFAOYSA-N	Metyrapol 2-methyl-1,2-dipyridin-3-ylpropan-1-ol
hmdb:HMDB0060605 DDFNHFXLQJLFSX-UHFFFAOYSA-N	Metyrapol 2-methyl-1,2-bis(pyridin-3-yl)propan-1-ol Metyrapol (mpol) Metyrapol, (-)-isomer Metyrapol, 3H-labeled
hmdb:HMDB60605	secondary/obsolete/fantasy identifier