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Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
17 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
7 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
2 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
10 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
12 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
5 steps
Depiction
Dead-End Product
C(C(=O)O)=[N+](CC(=O)O)[O-]
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
5 steps
Depiction
Dead-End Product
C(C=[N+](CC(=O)O)[O-])O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
5 steps
Depiction
Dead-End Product
C(C[N+](=CC(=O)O)[O-])O
Depiction
Upstream Precursor
CCCCCCCCCCN(CC[N+](CCNC(=O)CC(C(=O)O)S(=O)(=O)O)(CC(=O)O)[O-]…
Depth 1
Depiction
Product
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depiction
Upstream Precursor
CCCCCCCCCC[N+](CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)(CC(=…
Depth 1
Depiction
Product
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depiction
Upstream Precursor
CCCCCCCCCC[N+](CC[N+](CCNC(=O)CC(C(=O)O)S(=O)(=O)O)(CC(=O)O)[…
Depth 2
Depiction
Product
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 3
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 2
Depiction
Downstream Successor
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 3
Depiction
Downstream Successor
Glycolaldehyde
C(C=O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 1
Depiction
Downstream Successor
Glyoxylic Acid
C(=O)(C=O)O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 2
Depiction
Downstream Successor
Glycine
C(CN)(O)=O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 3
Depiction
Downstream Successor
Ethanolamine
NCCO
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 2
Depiction
Downstream Successor
Aminoacetaldehyde
NCC=O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 3
Depiction
Downstream Successor
Iminodiacetic acid
C(CNCC(O)=O)(O)=O
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 3
Depiction
Downstream Successor
Ethylenediamine
NCCN
Depiction
Precursor
4-[2-[Carboxymethyl-[2-[carboxymethyl(decyl)amino]ethyl]amino]ethylamino]-4-oxo-2-sulfobutanoic acid
CCCCCCCCCCN(CCN(CCNC(=O)CC(C(=O)O)S(=O)(=O)O)CC(=O)O)CC(=O)O
Depth 3
Depiction
Downstream Successor
Octanoic Acid
C(CCCCCCC)(O)=O
No Original Precursors

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