(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140388)

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ChEBI Name	(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid

ChEBI ID	CHEBI:140388

ChEBI ASCII Name	(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid

Definition	A diester resulting from the formal sequential esterification of the hydroxy group of one molecule of (3R)-3-hydroxybutyric acid with the carboxy group of a second, followed by the esterification of the hydroxy group of the product with the carboxy group of a third molecule of (3R)-3-hydroxybutyric acid. Isolated from the Japanese inedible mushroom Hypoxylon truncatum and also the sponge-derived actinomycete Micromonospora sp. RV43.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H20O7

Net Charge

Average Mass

276.283

Monoisotopic Mass

276.12090

InChI

InChI=1S/C12H20O7/c1-7(13)4-11(16)19-9(3)6-12(17)18-8(2)5-10(14)15/h7-9,13H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9-/m1/s1

InChIKey

CWLWBMWELZSMPG-IWSPIJDZSA-N

SMILES

O(C(C[C@H](O)C)=O)[C@@H](CC(O[C@@H](CC(O)=O)C)=O)C

Metabolite of Species	Details
Micromonospora sp. RV43 (NCBI:txid1661387)	See: PubMed
Annulohypoxylon truncatum (NCBI:txid327061)	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):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology
Outgoing	(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140388) has role fungal metabolite (CHEBI:76946) (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140388) is a (3R)-3-hydroxybutanoic acid oligomer (CHEBI:140392) (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140388) is a diester (CHEBI:51307) (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140388) is conjugate acid of (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate (CHEBI:140385)

Incoming	(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140390) has functional parent (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140388) (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate (CHEBI:140385) is conjugate base of (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid (CHEBI:140388)

IUPAC Name

(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid

Synonym	Source
(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutyryl]oxy}butyryl]oxy}butyric acid	ChEBI

Registry Number	Type	Source
8216073	Reaxys Registry Number	Reaxys

Last Modified

08 March 2018