9-(Methylsulfanyl)-2-oxononanoate (CHEBI:188603)

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CHEBI:188603 - 9-(Methylsulfanyl)-2-oxononanoate

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ChEBI ID	CHEBI:188603
ChEBI Name	9-(Methylsulfanyl)-2-oxononanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H17O3S
Net Charge	-1
Average Mass	217.310
Monoisotopic Mass	217.09039
SMILES	CSCCCCCCCC(=O)C(=O)[O-]
InChI	InChI=1S/C10H18O3S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h2-8H2,1H3,(H,12,13)/p-1
InChIKey	MJGXIOUQXYXGLP-UHFFFAOYSA-M

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	9-(Methylsulfanyl)-2-oxononanoate (CHEBI:188603) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
9-methylsulanyl-2-oxononanoate

Manual Xrefs	Databases
24785504	ChemSpider