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2-Oxo-7-methylthioheptanoic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM3820

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₈H₁₄O₃S

charge

mass

190.06637

reference

InChIKey

TWAIOPPFLZEXCO-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O3S/c1-12-6-4-2-3-5-7(9)8(10)11/h2-6H2,1H3,(H,10,11)

SMILES

CSCCCCCC(=O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80968 chebi:80968 kegg.compound:C17220 keggC:C17220	2-Oxo-7-methylthioheptanoic acid 7-(Methylthio)-2-oxo-heptanoic acid
seed.compound:cpd17410 seedM:cpd17410	2-Oxo-7-methylthioheptanoic acid 2-oxo-7-methylthioheptanoate 2-oxo-7-methylthioheptanoic acid 7-(Methylthio)-2-oxo-heptanoic acid 7-(methylsulfanyl)-2-oxoheptanoate 7-(methylthio)-2-oxoheptanoate 7-(methylthio)-2-oxoheptanoic acid
metacyc.compound:CPDQT-28 metacycM:CPDQT-28	7-(methylsulfanyl)-2-oxoheptanoate 7-(methylthio)-2-oxoheptanoate 7-(methylthio)-2-oxoheptanoic acid
keggC:M_C17220 seedM:M_cpd17410	secondary/obsolete/fantasy identifier