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2-(7'-Methylthio)heptylmalic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM5450

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₂H₂₂O₅S

charge

mass

278.11879

reference

InChIKey

PWAKELUEEHWVFQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)

SMILES

CSCCCCCCCC(O)(CC(=O)O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80975 chebi:80975 kegg.compound:C17230 keggC:C17230	2-(7'-Methylthio)heptylmalic acid 2-(7'-Methylthio)heptylmalate
seed.compound:cpd17420 seedM:cpd17420	2-(7'-Methylthio)heptylmalate 2-(7'-Methylthio)heptylmalic acid 2-(7'-methylthio)heptylmalate 2-(7'-methylthio)heptylmalic acid 2-[(7'-methylsulfanyl)heptyl]malate 2-[(7'-methylthio)heptyl]malate 2-[(7'-methylthio)heptyl]malic acid
metacyc.compound:CPDQT-35 metacycM:CPDQT-35	2-[(7'-methylsulfanyl)heptyl]malate 2-[(7'-methylthio)heptyl]malate 2-[(7'-methylthio)heptyl]malic acid
keggC:M_C17230 seedM:M_cpd17420	secondary/obsolete/fantasy identifier