CHEBI:71523 - {[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid

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ChEBI Name {[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid
ChEBI ID CHEBI:71523
ChEBI ASCII Name {[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.0(2,6)]undec-1-yl]carbamoyloxy}acetic acid
Definition A dicarboximide of bicyclo[2.2.2]octene, in which the nitrogen is substituted by a 4-acetamidophenyl group and one bridgehead is substituted by a 1-(carboxymethoxy)carboxamido group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H23N3O7
Net Charge 0
Average Mass 429.42320
Monoisotopic Mass 429.15360
InChI InChI=1S/C21H23N3O7/c1-11(25)22-13-2-4-14(5-3-13)24-18(28)16-12-6-8-21(9-7-12,17(16)19(24)29)23-20(30)31-10-15(26)27/h2-5,12,16-17H,6-10H2,1H3,(H,22,25)(H,23,30)(H,26,27)/t12-,16?,17?,21-
InChIKey WBCOLMYVEBTZOA-BYGYDQHBSA-N
SMILES CC(=O)Nc1ccc(cc1)N1C(=O)C2[C@H]3CC[C@@](CC3)(NC(=O)OCC(O)=O)C2C1=O
Roles Classification
Biological Role(s): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
(via {[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.0(2,6)]undec-1-yl]carbamoyloxy}acetic acid )
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ChEBI Ontology
Outgoing {[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) has role hapten (CHEBI:59174)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a acetamides (CHEBI:22160)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a bridged compound (CHEBI:35990)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a carbamate ester (CHEBI:23003)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a dicarboximide (CHEBI:35356)
IUPAC Name
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid
Citation Waiting for Citations Type Source
9506942 PubMed citation Europe PMC
Last Modified
06 March 2014