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CHEBI:79031 - dihydromonacolin L carboxylate

ChEBI IDCHEBI:79031
ChEBI Namedihydromonacolin L carboxylate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of dihydromonacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified17 September 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H31O4
Net Charge-1
Average Mass323.453
Monoisotopic Mass323.22278
SMILES[H][C@@]12C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@]1([H])CC[C@@H](C)C2
InChIInChI=1S/C19H32O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,12-18,20-21H,3,6-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,14+,15-,16-,17+,18+/m1/s1
InChIKeyNYKUCCPVLWRDEZ-VCWNUMGPSA-M
ChEBI Ontology
Outgoing Relation(s)
dihydromonacolin L carboxylate (CHEBI:79031) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
dihydromonacolin L carboxylate (CHEBI:79031) is conjugate base of dihydromonacolin L acid (CHEBI:82970)
Incoming Relation(s)
dihydromonacolin L acid (CHEBI:82970) is conjugate acid of dihydromonacolin L carboxylate (CHEBI:79031)
IUPAC Name 
(3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Synonym  Source
dihydromonacolin L acid(1−)ChEBI
UniProt Name  Source
dihydromonacolin L carboxylateUniProt
Citations