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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one

ChEBI ID	CHEBI:73982

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

Download	Molfile XML SDF

Formula

C13H22O4

Net Charge

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

InChIKey

REAWNMHCBIUKLZ-ZYHUDNBSSA-N

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.

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)

IUPAC Name

(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)dihydrofuran-2(3H)-one

Synonyms	Sources
3β-(6-methylheptanoyl)-4α-(hydroxymethyl)-4,5-dihydrofuran-2(3H)-one	ChEBI
A-Factor	ChEBI

Last Modified

01 July 2020