EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143905 - dihydroartemisinate

Default Structure
ChEBI IDCHEBI:143905
ChEBI Namedihydroartemisinate
Stars
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of dihydroartemisinic acid. The major species at pH 7.3.
Last Modified12 July 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H23O2
Net Charge-1
Average Mass235.347
Monoisotopic Mass235.17035
SMILES[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@@]2([H])[C@@H](C)C(=O)[O-]
InChIInChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,17)/p-1/t10-,11-,12+,13+,14+/m1/s1
InChIKeyJYGAZEJXUVDYHI-DGTMBMJNSA-M
ChEBI Ontology
Outgoing Relation(s)
dihydroartemisinate (CHEBI:143905) is a monocarboxylic acid anion (CHEBI:35757)
dihydroartemisinate (CHEBI:143905) is conjugate base of dihydroartemisinic acid (CHEBI:144078)
Incoming Relation(s)
dihydroartemisinic acid (CHEBI:144078) is conjugate acid of dihydroartemisinate (CHEBI:143905)
IUPAC Name 
(2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoate
UniProt Name  Source
(11R)-dihydroartemisinateUniProt
Manual XrefsDatabases
CPD-7559MetaCyc
Citations