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(S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA
An optically active twelve-membered tetraazamacrocycle having a carboxymethyl group attached to each of the nitrogens and a 4-substituted benzyl group at the 2-position.


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03. Biological Effects of Specific Chemicals: epitope [CHEBI:53000] > (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 epitope [CHEBI:53000] (470) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydroxides [CHEBI:24651] (5641) 
 oxoacid [CHEBI:24833] (3119) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 oxoacid [CHEBI:24833] (3119) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 organic acid [CHEBI:64709] (3008) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 macrocycle [CHEBI:51026] (234) 
 azamacrocycle [CHEBI:52898] (7) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 oxoacid [CHEBI:24833] (3119) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 tetracarboxylic acid [CHEBI:35742] (17) 
 (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA [CHEBI:42122] (1)
ChEBI Compound Accession Identifier  [CHEBI:42122]
ChEBI Compound Description  An optically active twelve-membered tetraazamacrocycle having a carboxymethyl group attached to each of the nitrogens and a 4-substituted benzyl group at the 2-position.
ChEBI Compound Identification Number  42122
ChEBI InChI Value  InChI=1S/C27H41N5O10S/c33-11-12-43-19-23(34)28-21-3-1-20(2-4-21)13-22-14-31(17-26(39)40)8-7-29(15-24(35)36)5-6-30(16-25(37)38)9-10-32(22)18-27(41)42/h1-4,22,33H,5-19H2,(H,28,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)/t22-/m0/s1
ChEBI InChIKey Value  PMSNEOWGSKSXKR-QFIPXVFZSA-N
ChEBI Compound Name  (S)-2-{4-[2-(2-hydroxyethylthio)acetamido]benzyl}-DOTA
ChEBI SMILES Value  OCCSCC(=O)Nc1ccc(C[C@H]2CN(CCN(CCN(CCN2CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1
ChEBI Substance ID  93581344
ChEBI URL  ChEBI:42122
ChemSpider ID  394460
Ontomatica Chemical Accession Key (OnChAKey)  PMSNEOWGSKSXKR_QFIPXVFZSA_N_000_000000
PubChem Compound ID  447330