(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one (CHEBI:222818)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one

ChEBI ID	CHEBI:222818

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H24O4

Net Charge

Average Mass

244.331

Monoisotopic Mass

244.16746

InChI

InChI=1S/C13H24O4/c1-9(2)5-3-4-6-12(15)11-7-10(8-14)17-13(11)16/h9-12,14-15H,3-8H2,1-2H3/t10-,11-,12+/m0/s1

InChIKey

VPZJYBYUQWBRKZ-SDDRHHMPSA-N

SMILES

O=C1O[C@H](CO)C[C@H]1[C@H](O)CCCCC(C)C

Metabolite of Species	Details
Actinomycesspecies (NCBI:txid29317)	See: DOI

ChEBI Ontology
Outgoing	(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one (CHEBI:222818) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one