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CHEBI:70788 - pentalenolactone E(1−)

ChEBI IDCHEBI:70788
ChEBI Namepentalenolactone E(1−)
Stars
ASCII Namepentalenolactone E(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of pentalenolactone E, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified30 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC15H17O4
Net Charge-1
Average Mass261.297
Monoisotopic Mass261.11323
SMILES[H][C@@]12COC(=O)C(=C)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C(=O)[O-]
InChIInChI=1S/C15H18O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,9,11H,1,5-7H2,2-3H3,(H,16,17)/p-1/t9-,11+,15-/m1/s1
InChIKeyVDWJABPVVAYLBS-BPYAMOTFSA-M
ChEBI Ontology
Outgoing Relation(s)
pentalenolactone E(1−) (CHEBI:70788) is a monocarboxylic acid anion (CHEBI:35757)
pentalenolactone E(1−) (CHEBI:70788) is conjugate base of pentalenolactone E (CHEBI:70807)
Incoming Relation(s)
pentalenolactone E (CHEBI:70807) is conjugate acid of pentalenolactone E(1−) (CHEBI:70788)
IUPAC Name 
(4aR,7aS,9aR)-6,6-dimethyl-4-methylene-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylate
Synonym  Source
pentalenolactone E anionChEBI
UniProt Name  Source
pentalenolactone EUniProt
Manual XrefsDatabases
CPD-13632MetaCyc
Citations