CHEBI:84579 - 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid

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ChEBI Name 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid ChEBI ID CHEBI:84579 ChEBI ASCII Name 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid Definition A dioxo monocarboxylic acid that consists of hydrindane bearing oxo and hydroxy substituents at positions 1 and 5 respectively as well as a 2-carboxyethyl substituent at position 4 (the 3aS,4S,5R,7aS diastereomer). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H20O4 Net Charge 0 Average Mass 240.29550 Monoisotopic Mass 240.13616 InChI InChI=1S/C13H20O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-10,14H,2-7H2,1H3,(H,16,17)/t8-,9-,10+,13-/m0/s1 InChIKey PTOAZNZPJAHUEF-XHSYRHOGSA-N SMILES C[C@]12CC[C@@H](O)[C@@H](CCC(O)=O)[C@@H]1CCC2=O Metabolite of Species Details Rhodococcus equi (NCBI:txid43767) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) has parent hydride hydrindane (CHEBI:49301) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) has role bacterial metabolite (CHEBI:76969) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) is a 5-hydroxy monocarboxylic acid (CHEBI:37125) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) is a alicyclic ketone (CHEBI:36132) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) is a carbobicyclic compound (CHEBI:36785) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) is a oxo monocarboxylic acid (CHEBI:35871) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) is a secondary alcohol (CHEBI:35681) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) is conjugate acid of 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate (CHEBI:83736) Incoming 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoyl-CoA (CHEBI:84601) has functional parent 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate (CHEBI:83736) is conjugate base of 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid (CHEBI:84579) IUPAC Name 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxooctahydro-1H-inden-4-yl]propanoic acid Synonym Source 5OH-HIP MetaCyc Manual Xref Database CPD-13761 MetaCyc View more database links Citations Types Sources 21901092 PubMed citation Europe PMC 23146019 PubMed citation Europe PMC Last Modified 05 January 2021