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

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hydroxyatrazine

	Properties	Image
MNX_ID	MNXM1102007
reference	chebi:18316
formula	C₈H₁₅N₅O
global charge	0
mol weight	197.242
InChIKey	NFMIMWNQWAWNDW-UHFFFAOYSA-N
InChI	InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
SMILES	CCNC1=NC(O)=NC(NC(C)C)=N1

MNX internals

InChI (mnx)	InChI=1/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
SMILES (mnx)	[CH3:1][CH2:4][N:9]=[C:6]1[NH:11][C:7](=[N:10][CH:5]([CH3:2])[CH3:3])[NH:13][C:8]([OH:14])=[N:12]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:18316 chebi:18316 NFMIMWNQWAWNDW-UHFFFAOYSA-N	hydroxyatrazine 2-hydroxyatrazine 4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine 4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-ol 4-(ethylamino)-6-(isopropylamino)-s-triazin-2-ol 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol Hydroxyatrazine hydroxydechloroatrazine
hmdb:HMDB0062766 NFMIMWNQWAWNDW-UHFFFAOYSA-N	4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 2-Hydroxy-4-(ethylamino)-6-(isopropylamino)-S-triazine 2-Hydroxyatrazine 2-hydroxyatrazine 4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine 4-(Ethylamino)-6-(isopropylamino)-S-triazin-2-ol 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol Hydroxyatrazine Hydroxydechloroatrazine
envipath:...b5ccf34482fc envipathM:...b5ccf34482fc vmhM:hatrzn vmhmetabolite:hatrzn NFMIMWNQWAWNDW-UHFFFAOYSA-N	Hydroxyatrazine
seed.compound:cpd03960 seedM:cpd03960 NFMIMWNQWAWNDW-UHFFFAOYSA-N	Hydroxyatrazine 2-hydroxy-4-(ethylamino)-6-(isopropylamino)-s-triazine 4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine 4-(ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine 4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-ol hatrz hydroxyatrazine hydroxydechloroatrazine
sabiork.compound:8720 sabiorkM:8720 kegg.compound:C06552 keggC:C06552 NFMIMWNQWAWNDW-UHFFFAOYSA-N	Hydroxyatrazine 4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine
envipath:...349614533aa5 envipathM:...349614533aa5 NFMIMWNQWAWNDW-UHFFFAOYSA-N	compound 0039536
envipath:...41fc0463e10a envipathM:...41fc0463e10a NFMIMWNQWAWNDW-UHFFFAOYSA-N	compound 0283614
metacyc.compound:HYDROXYATRAZINE metacycM:HYDROXYATRAZINE NFMIMWNQWAWNDW-UHFFFAOYSA-N	hydroxyatrazine 2-hydroxy-4-(ethylamino)-6-(isopropylamino)-s-triazine 4-(ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine 4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-ol hydroxydechloroatrazine
hmdb:HMDB62766 chebi:11942 chebi:20297 chebi:5800 keggC:M_C06552 seedM:M_cpd03960 vmhM:M_hatrzn	secondary/obsolete/fantasy identifier