8-acetyl homononactic acid (CHEBI:227212)

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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	8-acetyl homononactic acid

ChEBI ID	CHEBI:227212

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H22O5

Net Charge

Average Mass

258.314

Monoisotopic Mass

258.14672

InChI

InChI=1S/C13H22O5/c1-4-10(17-9(3)14)7-11-5-6-12(18-11)8(2)13(15)16/h8,10-12H,4-7H2,1-3H3,(H,15,16)/t8-,10+,11+,12-/m0/s1

InChIKey

FPPNINAJBFJBAS-GMNPVEAJSA-N

SMILES

O=C(O)[C@H]([C@H]1O[C@@H](C[C@H](OC(=O)C)CC)CC1)C

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	8-acetyl homononactic acid (CHEBI:227212) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name

(2S)-2-[(2S,5R)-5-[(2R)-2-acetyloxybutyl]oxolan-2-yl]propanoic acid