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CHEBI:178056 - platencin(1−)

ChEBI IDCHEBI:178056
ChEBI Nameplatencin(1−)
Stars
ASCII Nameplatencin(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of platencin resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified7 September 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC24H26NO6
Net Charge-1
Average Mass424.473
Monoisotopic Mass424.17656
SMILES[H][C@]12CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)[O-])c4O)[C@]3([H])C1)CC2=C
InChIInChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/p-1/t14-,17-,23-,24+/m0/s1
InChIKeyDWUHGPPFFABTIY-RLWZQHMASA-M
ChEBI Ontology
Outgoing Relation(s)
platencin(1−) (CHEBI:178056) is a dihydroxybenzoate (CHEBI:36084)
platencin(1−) (CHEBI:178056) is a monocarboxylic acid anion (CHEBI:35757)
platencin(1−) (CHEBI:178056) is conjugate base of platencin (CHEBI:68241)
Incoming Relation(s)
platencin (CHEBI:68241) is conjugate acid of platencin(1−) (CHEBI:178056)
IUPAC Name 
2,4-dihydroxy-3-{3-[(4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanamido}benzoate
Synonyms  Source
platencin anionChEBI
(−)-platencin anionChEBI
UniProt Name  Source
platencinUniProt
Manual XrefsDatabases
CPD-23571MetaCyc
Citations