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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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aminoatrazine
Properties
Image
MNX_ID
MNXM41832
reference
metacycM:CPD-7402
formula
C
8
H
16
N
6
global charge
0
mol weight
196.258
InChIKey
WKVBVBLLDKCKBT-UHFFFAOYSA-N
InChI
InChI=1S/C8H16N6/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H4,9,10,11,12,13,14)
SMILES
CCNC1=NC(N)=NC(NC(C)C)=N1
MNX internals
InChI (mnx)
InChI=1/C8H16N6/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H4,9,10,11,12,13,14)
SMILES (mnx)
[CH3:1][CH2:4][N:10]=[C:7]1[NH:12][C:6](=[NH:9])[NH:13][C:8](=[N:11][CH:5]([CH3:2])[CH3:3])[NH:14]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
metacyc.compound:CPD-7402
metacycM:CPD-7402
seed.compound:cpd24780
seedM:cpd24780
WKVBVBLLDKCKBT-UHFFFAOYSA-N
aminoatrazine
seedM:M_cpd24780
secondary/obsolete/fantasy identifier