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CHEBI:70859 - neopentalenolactone D(1−)

ChEBI IDCHEBI:70859
ChEBI Nameneopentalenolactone D(1−)
Stars
ASCII Nameneopentalenolactone D(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of neopentalenolactone D, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 November 2012
SubmitterKAX
DownloadsMolfile
FormulaC15H19O4
Net Charge-1
Average Mass263.313
Monoisotopic Mass263.12888
SMILES[H][C@@]12CC(=O)O[C@@H](C)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C(=O)[O-]
InChIInChI=1S/C15H20O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9+,11-,15+/m0/s1
InChIKeyZMLAXRVFMBEJIF-GCTGHDABSA-M
ChEBI Ontology
Outgoing Relation(s)
neopentalenolactone D(1−) (CHEBI:70859) is a monocarboxylic acid anion (CHEBI:35757)
neopentalenolactone D(1−) (CHEBI:70859) is conjugate base of neopentalenolactone D (CHEBI:70866)
Incoming Relation(s)
neopentalenolactone D (CHEBI:70866) is conjugate acid of neopentalenolactone D(1−) (CHEBI:70859)
IUPAC Name 
(1S,4aR,6aS,9aR)-1,8,8-trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carboxylate
UniProt Name  Source
neopentalenolactone DUniProt
Manual XrefsDatabases
CPD-13623MetaCyc
Citations