CHEBI:79044 - monacolin L carboxylate

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ChEBI Name monacolin L carboxylate
ChEBI ID CHEBI:79044
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C19H29O4
Net Charge -1
Average Mass 321.43170
Monoisotopic Mass 321.20713
InChI InChI=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
InChIKey RPDSFBJYUHLDNI-MHMDBQTNSA-M
SMILES C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H](C)C=CC2=C1
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
monacolin L acid(1−) ChEBI
monacolin L carboxylate UniProt
Registry Number Type Source
21537503 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21495633 PubMed citation SUBMITTER
2276977 PubMed citation SUBMITTER
2921224 PubMed citation SUBMITTER
Last Modified
18 September 2014