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CHEBI:178082 - platensimycin(1−)

ChEBI IDCHEBI:178082
ChEBI Nameplatensimycin(1−)
Stars
ASCII Nameplatensimycin(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of platensimycin resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified7 September 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC24H26NO7
Net Charge-1
Average Mass440.472
Monoisotopic Mass440.17148
SMILES[H][C@]12C[C@@H]3O[C@@]1(C)C[C@]1(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)[O-])c4O)[C@]31[H])C2
InChIInChI=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
InChIKeyCSOMAHTTWTVBFL-OFBLZTNGSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
(−)-platensimycin anionChEBI
platensimycin anionChEBI
UniProt Name  Source
platensimycinUniProt
Manual XrefsDatabases
CPD-15302MetaCyc
Citations