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CHEBI:49465 - 3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid
| Formula | C16H24O8 |
| Net Charge | 0 |
| Average Mass | 344.360 |
| Monoisotopic Mass | 344.14712 |
| SMILES | [H][C@@]12C[C@H](OCOC)[C@@H](CC(=O)O)O[C@@]1([H])[C@H](O)[C@@]1([H])OCC=CC[C@]1([H])O2 |
| InChI | InChI=1S/C16H24O8/c1-20-8-22-10-6-12-16(24-11(10)7-13(17)18)14(19)15-9(23-12)4-2-3-5-21-15/h2-3,9-12,14-16,19H,4-8H2,1H3,(H,17,18)/t9-,10-,11+,12+,14+,15-,16+/m0/s1 |
| InChIKey | BUTGPEQQPCQQSZ-RQHZCWAZSA-N |
| Roles Classification |
|---|
| 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. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| 3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid (CHEBI:49465) has role hapten (CHEBI:59174) |
| 3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid (CHEBI:49465) is a organic heterotricyclic compound (CHEBI:26979) |
| 3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid (CHEBI:49465) is a polycyclic ether (CHEBI:36468) |
| IUPAC Name |
|---|
| [(2R,3S,4aR,5aS,10aR,11R,11aS)-11-hydroxy-3-(methoxymethoxy)-2,3,4,4a,5a,6,9,10a,11,11a-decahydropyrano[2',3':5,6]pyrano[3,2-b]oxepin-2-yl]acetic acid |
| Manual Xrefs | Databases |
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| AB0 | PDBeChem |
| Registry Numbers | Sources |
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| Reaxys:8935474 | Reaxys |
| Citations |
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