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CHEBI:70787 - pentalenolactone D(1−)

ChEBI IDCHEBI:70787
ChEBI Namepentalenolactone D(1−)
Stars
ASCII Namepentalenolactone D(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of pentalenolactone D, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified30 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC15H19O4
Net Charge-1
Average Mass263.313
Monoisotopic Mass263.12888
SMILES[H][C@@]12COC(=O)[C@@H](C)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C(=O)[O-]
InChIInChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/p-1/t8-,9-,11+,15-/m1/s1
InChIKeyMRLXXQBBRNRWDA-LIEMUPCESA-M
ChEBI Ontology
Outgoing Relation(s)
pentalenolactone D(1−) (CHEBI:70787) is a monocarboxylic acid anion (CHEBI:35757)
pentalenolactone D(1−) (CHEBI:70787) is conjugate base of pentalenolactone D (CHEBI:70805)
Incoming Relation(s)
pentalenolactone D (CHEBI:70805) is conjugate acid of pentalenolactone D(1−) (CHEBI:70787)
IUPAC Name 
(4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylate
Synonym  Source
pentalenolactone D anionChEBI
UniProt Name  Source
pentalenolactone DUniProt
Manual XrefsDatabases
CPD-13621MetaCyc
Citations