CHEBI:70790 - pentalenolactone(1−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name pentalenolactone(1−) ChEBI ID CHEBI:70790 ChEBI ASCII Name pentalenolactone(1-) Definition A monocarboxylic acid anion that is the conjugate base of pentalenolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C15H15O5 Net Charge -1 Average Mass 275.27660 Monoisotopic Mass 275.09250 InChI InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/p-1/t8-,10-,11+,14-,15-/m1/s1 InChIKey NUPNVWUYFVEAIT-UJJBCWTCSA-M SMILES [H][C@@]12COC(=O)[C@]3(CO3)[C@@]11C=C(C)[C@@H](C)[C@@]1([H])C=C2C([O-])=O ChEBI Ontology Outgoing pentalenolactone(1−) (CHEBI:70790) is a monocarboxylic acid anion (CHEBI:35757) pentalenolactone(1−) (CHEBI:70790) is conjugate base of pentalenolactone (CHEBI:70816) Incoming pentalenolactone (CHEBI:70816) is conjugate acid of pentalenolactone(1−) (CHEBI:70790) IUPAC Name (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylate Synonyms Sources arenaemycin E MetaCyc pentalenolactone UniProt pentalenolactone anion ChEBI Manual Xref Database CPD-13619 MetaCyc View more database links Citation Type Source 21284395 PubMed citation SUBMITTER Last Modified 26 October 2018