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3-(3-methylsulfanyl)propylmalate

PropertiesImage
MNX_IDMNXM5503 Image of MNXM5503
referencechebi:133501
formulaC8H12O5S
global charge-2
mol weight220.246
InChIKeySQXVIIOPMYSNCP-UHFFFAOYSA-L
InChIInChI=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
SMILESCSCCCC(C(=O)[O-])C(O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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)/t5?,6? Image of MNXM5503
SMILES (mnx)[CH3:1][S:14][CH2:4][CH2:2][CH2:3][CH:5]([CH:6]([C:8](=[O:12])[OH:13])[OH:9])[C:7](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133501
chebi:133501
SQXVIIOPMYSNCP-UHFFFAOYSA-L 		3-(3-methylsulfanyl)propylmalate
2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioate
3-(3-methylthio)propylmalate(2-)

seed.compound:cpd17405
seedM:cpd17405
SQXVIIOPMYSNCP-UHFFFAOYSA-L 		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
SQXVIIOPMYSNCP-UHFFFAOYSA-N 		3-(3'-Methylthio)propylmalic acid
3-(3'-Methylthio)propylmalate
hmdb:HMDB0304106
SQXVIIOPMYSNCP-UHFFFAOYSA-L 		3-(3'-methylthio)propylmalate
2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioate
3-(3'-methylthio)Propylmalic acid
3-(3-Methylsulfanyl)propylmalate
3-(3-Methylsulfanyl)propylmalic acid
3-(3-Methylsulphanyl)propylmalate
3-(3-Methylsulphanyl)propylmalic acid
3-(3-Methylthio)propylmalic acid(2-)

CHEBI:134537
chebi:134537
SQXVIIOPMYSNCP-UHFFFAOYSA-N 		3-(3-methylthio)propylmalic acid
2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioic acid

metacyc.compound:CPDQT-36
metacycM:CPDQT-36
SQXVIIOPMYSNCP-UHFFFAOYSA-L 		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