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CHEBI:64782 - (+)-artemisinate

ChEBI IDCHEBI:64782
ChEBI Name(+)-artemisinate
Stars
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (+)-artemisinic acid. The major species at pH 7.3.
Last Modified14 June 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H21O2
Net Charge-1
Average Mass233.331
Monoisotopic Mass233.15470
SMILES[H][C@@]12CCC(C)=C[C@]1([H])[C@H](C(=C)C(=O)[O-])CC[C@H]2C
InChIInChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/p-1/t10-,12+,13+,14+/m1/s1
InChIKeyPLQMEXSCSAIXGB-SAXRGWBVSA-M
ChEBI Ontology
Outgoing Relation(s)
(+)-artemisinate (CHEBI:64782) is a monocarboxylic acid anion (CHEBI:35757)
(+)-artemisinate (CHEBI:64782) is conjugate base of (+)-artemisinic acid (CHEBI:63749)
Incoming Relation(s)
(+)-artemisinic acid (CHEBI:63749) is conjugate acid of (+)-artemisinate (CHEBI:64782)
IUPAC Name 
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoate
Synonym  Source
artemisinateSUBMITTER
UniProt Name  Source
(+)-artemisinateUniProt
Citations