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

ChEBI IDCHEBI:79036
ChEBI Name3α-hydroxy-3,5-dihydromonacolin L carboxylate
Stars
ASCII Name3alpha-hydroxy-3,5-dihydromonacolin L carboxylate
DefinitionA 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.
Last Modified18 September 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H31O5
Net Charge-1
Average Mass339.452
Monoisotopic Mass339.21770
SMILES[H][C@]12CC[C@@H](C)CC1=C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
InChIInChI=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
InChIKeyMRKCPMGQBNMKTA-GBRHIFDWSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
3α-hydroxy-3,5-dihydromonacolin L carboxylateUniProt
Citations