CHEBI:79031 - dihydromonacolin L carboxylate

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ChEBI Name dihydromonacolin L carboxylate
ChEBI ID CHEBI:79031
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C19H31O4
Net Charge -1
Average Mass 323.44760
Monoisotopic Mass 323.22278
InChI InChI=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
InChIKey NYKUCCPVLWRDEZ-VCWNUMGPSA-M
SMILES C[C@@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
dihydromonacolin L acid(1−) ChEBI
dihydromonacolin L carboxylate UniProt
Citation Waiting for Citations Type Source
23653178 PubMed citation SUBMITTER
Last Modified
17 September 2014