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CHEBI:82970 - dihydromonacolin L acid

ChEBI IDCHEBI:82970
ChEBI Namedihydromonacolin L acid
Stars
DefinitionA polyketide obtained by hydrolysis of the pyranone ring of dihydromonacolin L.
Last Modified7 September 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H32O4
Net Charge0
Average Mass324.461
Monoisotopic Mass324.23006
SMILES[H][C@@]12C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@]1([H])CC[C@@H](C)C2
InChIInChI=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)/t12-,13+,14+,15-,16-,17+,18+/m1/s1
InChIKeyNYKUCCPVLWRDEZ-VCWNUMGPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
dihydromonacolin L acid (CHEBI:82970) has functional parent dihydromonacolin L (CHEBI:14158)
dihydromonacolin L acid (CHEBI:82970) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
dihydromonacolin L acid (CHEBI:82970) is a carbobicyclic compound (CHEBI:36785)
dihydromonacolin L acid (CHEBI:82970) is a dihydroxy monocarboxylic acid (CHEBI:35972)
dihydromonacolin L acid (CHEBI:82970) is a octahydronaphthalenes (CHEBI:138397)
dihydromonacolin L acid (CHEBI:82970) is a polyketide (CHEBI:26188)
dihydromonacolin L acid (CHEBI:82970) is conjugate acid of dihydromonacolin L carboxylate (CHEBI:79031)
Incoming Relation(s)
3α-hydroxy-3,5-dihydromonacolin L acid (CHEBI:82972) has functional parent dihydromonacolin L acid (CHEBI:82970)
dihydromonacolin L carboxylate (CHEBI:79031) is conjugate base of dihydromonacolin L acid (CHEBI:82970)
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-dihydroxyheptanoic acid
Registry NumbersSources
Reaxys:23775017Reaxys
Citations