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

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terbutylazine-desethyl-2-hydroxy

	Properties	Image
MNX_ID	MNXM161459
reference	chebi:83477
formula	C₇H₁₃N₅O
global charge	0
mol weight	183.215
InChIKey	NUISVCFZNCYUIM-UHFFFAOYSA-N
InChI	InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)
SMILES	CC(C)(C)NC1=NC(O)=NC(N)=N1

MNX internals

InChI (mnx)	InChI=1/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)
SMILES (mnx)	[CH3:1][C:7]([CH3:2])([CH3:3])[NH:12][C:5]1=[N:9][C:4](=[NH:8])[N:10]=[C:6]([OH:13])[NH:11]1

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:83477 chebi:83477 NUISVCFZNCYUIM-UHFFFAOYSA-N	terbutylazine-desethyl-2-hydroxy 4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol desethyl-2-hydroxyterbuthylazine
envipath:...397604e8f05e envipathM:...397604e8f05e envipath:...13ba729cee11 envipathM:...13ba729cee11 NUISVCFZNCYUIM-UHFFFAOYSA-N	MT14
envipath:...4d0485bb1f54 envipathM:...4d0485bb1f54 envipath:...0fef2f6687b2 envipathM:...0fef2f6687b2 NUISVCFZNCYUIM-UHFFFAOYSA-N	Spike compound 0000590
envipath:...4ba2c1f9676c envipathM:...4ba2c1f9676c NUISVCFZNCYUIM-UHFFFAOYSA-N	compound 0049364