CHEBI:79036 - 3α-hydroxy-3,5-dihydromonacolin L carboxylate

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ChEBI Name 3α-hydroxy-3,5-dihydromonacolin L carboxylate
ChEBI ID CHEBI:79036
ChEBI ASCII Name 3alpha-hydroxy-3,5-dihydromonacolin L carboxylate
Definition A hydroxy monocarboxylic acid anion that is the conjugate base of 3α-hydroxy-3,5-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
Download Molfile XML SDF
Formula C19H31O5
Net Charge -1
Average Mass 339.44700
Monoisotopic Mass 339.21770
InChI InChI=1S/C19H32O5/c1-11-3-5-17-13(7-11)8-18(22)12(2)16(17)6-4-14(20)9-15(21)10-19(23)24/h8,11-12,14-18,20-22H,3-7,9-10H2,1-2H3,(H,23,24)/p-1/t11-,12-,14-,15-,16+,17+,18-/m1/s1
InChIKey MRKCPMGQBNMKTA-GBRHIFDWSA-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@H](O)C=C2C1
ChEBI Ontology
Outgoing 3α-hydroxy-3,5-dihydromonacolin L carboxylate (CHEBI:79036) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3α-hydroxy-3,5-dihydromonacolin L carboxylate (CHEBI:79036) is conjugate base of 3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972)
Incoming 3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) is conjugate acid of 3α-hydroxy-3,5-dihydromonacolin L carboxylate (CHEBI:79036)
IUPAC Name
(3R,5R)-3,5-dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoate
Synonym Source
3α-hydroxy-3,5-dihydromonacolin L carboxylate UniProt
Citations Waiting for Citations Types Sources
21495633 PubMed citation SUBMITTER
2276977 PubMed citation SUBMITTER
2921224 PubMed citation SUBMITTER
Last Modified
18 September 2014