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3-(3-methylsulfanyl)propylmalate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5503

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₈H₁₂O₅S

charge

-2

mass

220.04164

reference

InChIKey

SQXVIIOPMYSNCP-UHFFFAOYSA-L

InChI

InChI=1S/C8H14O5S/c1-14-4-2-3-5(7(10)11)6(9)8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/p-2

SMILES

CSCCCC(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:133501 chebi:133501	3-(3-methylsulfanyl)propylmalate 2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioate 3-(3-methylthio)propylmalate(2-)
seed.compound:cpd17405 seedM:cpd17405	3-(3'-Methylthio)propylmalate 3-(3'-Methylthio)propylmalic acid 3-(3'-methylthio)propylmalate 3-(3'-methylthio)propylmalic acid 3-[(3'-methylsulfanyl)propyl]malate 3-[(3'-methylthio)propyl]malate 3-[(3'-methylthio)propyl]malic acid
CHEBI:80964 chebi:80964 kegg.compound:C17215 keggC:C17215	3-(3'-Methylthio)propylmalic acid 3-(3'-Methylthio)propylmalate
CHEBI:134537 chebi:134537	3-(3-methylthio)propylmalic acid 2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioic acid
metacyc.compound:CPDQT-36 metacycM:CPDQT-36	3-[(3'-methylsulfanyl)propyl]malate 3-[(3'-methylthio)propyl]malate 3-[(3'-methylthio)propyl]malic acid
keggC:M_C17215 seedM:M_cpd17405	secondary/obsolete/fantasy identifier