CHEBI:73982 - (3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one

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ChEBI Name (3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
ChEBI ASCII Name (3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
Definition A butan-4-olide that is γ-butyrolactone with a 6-methylheptanoyl substituent at position 3 and a hydroxymethyl substituent at position 4 (the 3R,4R-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H22O4
Net Charge 0
Average Mass 242.315
Monoisotopic Mass 242.15181
InChI InChI=1S/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,12,14H,3-8H2,1-2H3/t10-,12-/m1/s1
SMILES [C@]1([C@@](C(OC1)=O)(C(CCCCC(C)C)=O)[H])(CO)[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing (3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one (CHEBI:73982) has functional parent γ-butyrolactone (CHEBI:42639)
(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one (CHEBI:73982) has role metabolite (CHEBI:25212)
(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one (CHEBI:73982) is a butan-4-olide (CHEBI:22950)
(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one (CHEBI:73982) is a primary alcohol (CHEBI:15734)
Synonyms Sources
3β-(6-methylheptanoyl)-4α-(hydroxymethyl)-4,5-dihydrofuran-2(3H)-one ChEBI
A-Factor ChEBI
Manual Xref Database
CPD-10135 MetaCyc
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Registry Numbers Types Sources
4747237 Reaxys Registry Number Reaxys
51311-41-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19389771 PubMed citation Europe PMC
21369994 PubMed citation Europe PMC
21883521 PubMed citation Europe PMC
29510026 PubMed citation Europe PMC
Last Modified
01 July 2020