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CHEBI:82972 - 3α-hydroxy-3,5-dihydromonacolin L acid

ChEBI IDCHEBI:82972
ChEBI Name3α-hydroxy-3,5-dihydromonacolin L acid
Stars
ASCII Name3alpha-hydroxy-3,5-dihydromonacolin L acid
DefinitionA polyketide obtainbed by allylic hydroxylation of dihydromonacolin L acid at the 3α-position.
Last Modified18 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H32O5
Net Charge0
Average Mass340.460
Monoisotopic Mass340.22497
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)/t11-,12-,14-,15-,16+,17+,18-/m1/s1
InChIKeyMRKCPMGQBNMKTA-GBRHIFDWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (2921224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) has functional parent dihydromonacolin L acid (CHEBI:82970)
3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) has role Aspergillus metabolite (CHEBI:76956)
3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) is a carbobicyclic compound (CHEBI:36785)
3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) is a hydroxy monocarboxylic acid (CHEBI:35868)
3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) is a polyketide (CHEBI:26188)
3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) is conjugate acid of 3α-hydroxy-3,5-dihydromonacolin L carboxylate (CHEBI:79036)
Incoming Relation(s)
3α-hydroxy-3,5-dihydromonacolin L carboxylate (CHEBI:79036) is conjugate base of 3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972)
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]heptanoic acid
Citations