Term: | sordaricin(1-) |
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Accession: | CHEBI:140232
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Definition: | A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3. |
Synonyms: | exact_synonym: | (1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate |
| related_synonym: | Formula=C20H27O4; InChI=1S/C20H28O4/c1-11(2)16-6-13-7-19(10-22)15-5-4-12(3)14(15)8-18(13,9-21)20(16,19)17(23)24/h6,10-15,21H,4-5,7-9H2,1-3H3,(H,23,24)/p-1/t12-,13-,14-,15-,18+,19+,20-/m1/s1; InChIKey=QIMCUSGGYZHVEF-VULLPXFTSA-M; SMILES=[C@@]12([C@]3([C@](C[C@@]1([C@]4([H])CC[C@H]([C@]4(C3)[H])C)C=O)(C=C2C(C)C)[H])CO)C([O-])=O; sordaricin |
| xref: | MetaCyc:CPD-20460; PMID:12565963; PMID:27072286 |
| cyclic_relationship: | is_conjugate_base_of CHEBI:140259 |
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