CHEBI:57516 - deoxylimononate D-ring-lactone(2−)

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ChEBI Name deoxylimononate D-ring-lactone(2−)
ChEBI ID CHEBI:57516
ChEBI ASCII Name deoxylimononate D-ring-lactone(2-)
Definition Dianion of deoxylimonoic acid D-ring-lactone arising from deprotonation of both carboxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H32O9
Net Charge -2
Average Mass 488.52690
Monoisotopic Mass 488.20573
InChI InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/p-2/t16-,18-,19-,23-,25+,26+/m0/s1
InChIKey BQKCYOXFBVKBDA-DYNITIQCSA-L
SMILES [H][C@@]1(CC([O-])=O)OC(C)(C)[C@]([H])(CC([O-])=O)[C@@]1(CO)[C@@]1([H])CC[C@@]2(C)[C@@H](OC(=O)CC2=C1C)c1ccoc1
ChEBI Ontology
Outgoing deoxylimononate D-ring-lactone(2−) (CHEBI:57516) is a dicarboxylic acid dianion (CHEBI:28965)
deoxylimononate D-ring-lactone(2−) (CHEBI:57516) is conjugate base of deoxylimonoic acid D-ring-lactone (CHEBI:15787)
Incoming deoxylimonoic acid D-ring-lactone (CHEBI:15787) is conjugate acid of deoxylimononate D-ring-lactone(2−) (CHEBI:57516)
IUPAC Name
2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetate
Synonyms Sources
deoxylimononate D-ring-lactone UniProt
deoxylimononate D-ring-lactone dianion ChEBI
Last Modified
13 November 2017