CHEBI:178082 - platensimycin(1−)

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ChEBI Name platensimycin(1−) ChEBI ID CHEBI:178082 ChEBI ASCII Name platensimycin(1-) Definition A monocarboxylic acid anion that is the conjugate base of platensimycin resulting from the deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H26NO7 Net Charge -1 Average Mass 440.473 Monoisotopic Mass 440.17148 InChI InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/p-1/t12-,15+,20+,22-,23+,24+/m1/s1 InChIKey CSOMAHTTWTVBFL-OFBLZTNGSA-M SMILES [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C([O-])=O)[C@]31[H] ChEBI Ontology Outgoing platensimycin(1−) (CHEBI:178082) is a dihydroxybenzoate (CHEBI:36084) platensimycin(1−) (CHEBI:178082) is a monocarboxylic acid anion (CHEBI:35757) platensimycin(1−) (CHEBI:178082) is conjugate base of platensimycin (CHEBI:68236) Incoming platensimycin (CHEBI:68236) is conjugate acid of platensimycin(1−) (CHEBI:178082) IUPAC Name 3-{3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanamido}-2,4-dihydroxybenzoate Synonyms Sources (−)-platensimycin anion ChEBI platensimycin UniProt platensimycin anion ChEBI Manual Xref Database CPD-15302 MetaCyc View more database links Citations Types Sources 26942008 PubMed citation Europe PMC 27865713 PubMed citation Europe PMC Last Modified 07 September 2021