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2-(6'-Methylthio)hexylmalic acid

PropertiesImage
MNX_IDMNXM5449 Image of MNXM5449
referencechebi:80972
formulaC11H20O5S
global charge0
mol weight264.343
InChIKeyFEKMFSGDBKSRNR-UHFFFAOYSA-N
InChIInChI=1S/C11H20O5S/c1-17-7-5-3-2-4-6-11(16,10(14)15)8-9(12)13/h16H,2-8H2,1H3,(H,12,13)(H,14,15)
SMILESCSCCCCCCC(O)(CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H20O5S/c1-17-7-5-3-2-4-6-11(16,10(14)15)8-9(12)13/h16H,2-8H2,1H3,(H,12,13)(H,14,15)/t11? Image of MNXM5449
SMILES (mnx)[CH3:1][S:17][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][C:11]([CH2:8][C:9](=[O:12])[OH:13])([C:10](=[O:14])[OH:15])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80972
chebi:80972
kegg.compound:C17226
keggC:C17226
FEKMFSGDBKSRNR-UHFFFAOYSA-N 		2-(6'-Methylthio)hexylmalic acid
2-(6'-Methylthio)hexylmalate

seed.compound:cpd17416
seedM:cpd17416
FEKMFSGDBKSRNR-UHFFFAOYSA-L 		2-(6'-Methylthio)hexylmalate
2-(6'-Methylthio)hexylmalic acid
2-(6'-methylthio)hexylmalate
2-(6'-methylthio)hexylmalic acid
2-[(6'-methylsulfanyl)hexyl]malate
2-[(6'-methylthio)hexyl]malate
2-[(6'-methylthio)hexyl]malic acid
hmdb:HMDB0304053
FEKMFSGDBKSRNR-UHFFFAOYSA-L 		2-(6'-methylthio)hexylmalate
2-(6'-methylthio)Hexylmalic acid
2-Hydroxy-2-[6-(methylsulfanyl)hexyl]butanedioic acid
2-Hydroxy-2-[6-(methylsulphanyl)hexyl]butanedioate
2-Hydroxy-2-[6-(methylsulphanyl)hexyl]butanedioic acid
2-hydroxy-2-[6-(methylsulfanyl)hexyl]butanedioate

metacyc.compound:CPDQT-34
metacycM:CPDQT-34
FEKMFSGDBKSRNR-UHFFFAOYSA-L 		2-[(6'-methylsulfanyl)hexyl]malate
2-[(6'-methylthio)hexyl]malate
2-[(6'-methylthio)hexyl]malic acid

keggC:M_C17226
seedM:M_cpd17416 		secondary/obsolete/fantasy identifier