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Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
1 step
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
4 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
8 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
11 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
11 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
17 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
6 steps
Depiction
Dead-End Product
Cyanuric acid
c1(nc(nc(n1)O)O)O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
7 steps
Depiction
Dead-End Product
3-(Dichloroamino)propanoic acid
OC(=O)CCN(Cl)Cl
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
5 steps
Depiction
Dead-End Product
OC(=O)CCS(=O)=O
Depiction
Upstream Precursor
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCS(C)=O)C(=O)O)NC(CC[S+](C)Cl…
Depth 3
Depiction
Product
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depiction
Upstream Precursor
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCS(C)=O)C(=O)O
Depth 1
Depiction
Product
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depiction
Upstream Precursor
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCS(C)=O)C(=O)O)NC(CCS(C)=O)C(=O)O
Depth 2
Depiction
Product
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depiction
Upstream Precursor
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CC[S+](C)Cl)C(=O)O
Depth 2
Depiction
Product
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depiction
Upstream Precursor
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCS(C)(=O)=O)C(=O)O
Depth 2
Depiction
Product
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 1
Depiction
Downstream Successor
Methanol
CO
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 1
Depiction
Downstream Successor
Methanethiol
CS
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 3
Depiction
Downstream Successor
3-Hydroxypropionic acid
C(CCO)(=O)O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 3
Depiction
Downstream Successor
3-Oxopropanoic acid
OC(=O)CC=O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 3
Depiction
Downstream Successor
3-Mercaptopropionic Acid
C(C(=O)O)CS
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 3
Depiction
Downstream Successor
(+-)-Methionine
NC(CCSC)C(=O)O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 1
Depiction
Downstream Successor
4-(Methylthio)-2-oxobutyric acid
CSCCC(C(=O)O)=O
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 3
Depiction
Downstream Successor
3-Mercaptopropanal
C(C=O)CS
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 2
Depiction
Downstream Successor
4-Hydroxy-2-oxobutanoic acid
C(C(C(O)=O)=O)CO
Depiction
Precursor
2-[[4,6-Bis[(1-carboxy-3-methylsulfanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoic acid
CSCCC(C(=O)O)NC1=NC(=NC(=N1)NC(CCSC)C(=O)O)NC(CCSC)C(=O)O
Depth 2
Depiction
Downstream Successor
3-(Methylthio)propanoic acid
C(CCSC)(=O)O
No Original Precursors

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