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3-(7'-Methylthio)heptylmalic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM5508

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₁₂H₂₂O₅S

charge

mass

278.11879

reference

InChIKey

SXLJFGXGVBWOOB-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80976 chebi:80976 kegg.compound:C17231 keggC:C17231	3-(7'-Methylthio)heptylmalic acid 3-(7'-Methylthio)heptylmalate
seed.compound:cpd17421 seedM:cpd17421	3-(7'-Methylthio)heptylmalate 3-(7'-Methylthio)heptylmalic acid 3-(7'-methylthio)heptylmalate 3-(7'-methylthio)heptylmalic acid 3-[(7'-methylsulfanyl)heptyl]malate 3-[(7'-methylthio)heptyl]malate 3-[(7'-methylthio)heptyl]malic acid
metacyc.compound:CPDQT-40 metacycM:CPDQT-40	3-[(7'-methylsulfanyl)heptyl]malate 3-[(7'-methylthio)heptyl]malate 3-[(7'-methylthio)heptyl]malic acid
keggC:M_C17231 seedM:M_cpd17421	secondary/obsolete/fantasy identifier