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CHEBI:79044 - monacolin L carboxylate

ChEBI IDCHEBI:79044
ChEBI Namemonacolin L carboxylate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of monacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified18 September 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H29O4
Net Charge-1
Average Mass321.437
Monoisotopic Mass321.20713
SMILES[H][C@]12CC[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
InChIInChI=1S/C19H30O4/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/h4-5,9,12-13,15-18,20-21H,3,6-8,10-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,15-,16-,17+,18+/m1/s1
InChIKeyRPDSFBJYUHLDNI-MHMDBQTNSA-M
ChEBI Ontology
Outgoing Relation(s)
monacolin L carboxylate (CHEBI:79044) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
monacolin L carboxylate (CHEBI:79044) is conjugate base of monacolin L acid (CHEBI:82987)
Incoming Relation(s)
monacolin L acid (CHEBI:82987) is conjugate acid of monacolin L carboxylate (CHEBI:79044)
IUPAC Name 
(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Synonym  Source
monacolin L acid(1−)ChEBI
UniProt Name  Source
monacolin L carboxylateUniProt
Registry NumbersSources
Reaxys:21537503Reaxys
Citations