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CHEBI:46099 - (S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane
| Formula | C20H28O3 |
| Net Charge | 0 |
| Average Mass | 316.441 |
| Monoisotopic Mass | 316.20384 |
| SMILES | Cc1cc2c(cc1C(=O)CCC(=O)O)[C@@H](C(C)C)[C@H](C)C2(C)C |
| InChI | InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1 |
| InChIKey | YUTXECPABXNXPU-DJJJIMSYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | 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. |
| Application: | fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane (CHEBI:46099) has functional parent traseolide (CHEBI:63781) |
| (S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane (CHEBI:46099) has role fragrance (CHEBI:48318) |
| (S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane (CHEBI:46099) has role hapten (CHEBI:59174) |
| (S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane (CHEBI:46099) is a 4-oxo monocarboxylic acid (CHEBI:35950) |
| (S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane (CHEBI:46099) is a indanes (CHEBI:46940) |
| IUPAC Name |
|---|
| 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]butanoic acid |
| Synonyms | Source |
|---|---|
| TRAZEOLIDE | PDBeChem |
| 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]butanoic acid | ChEBI |
| 5-(3-carboxy-1-oxo-1-propyl)-1,1,2,6-tetramethyl-3-isopropylindane | ChEBI |
| 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl]butanoic acid | PDB |
| Citations |
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