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3-(2-methylsulfanyl)ethylmalate

PropertiesImage
MNX_IDMNXM5502 Image of MNXM5502
referencechebi:133497
formulaC7H10O5S
global charge-2
mol weight206.219
InChIKeyUZRMQJKPFRLIDG-UHFFFAOYSA-L
InChIInChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/p-2
SMILESCSCCC(C(=O)[O-])C(O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5? Image of MNXM5502
SMILES (mnx)[CH3:1][S:13][CH2:3][CH2:2][CH:4]([CH:5]([C:7](=[O:11])[OH:12])[OH:8])[C:6](=[O:9])[OH:10]
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:133497
chebi:133497
UZRMQJKPFRLIDG-UHFFFAOYSA-L 		3-(2-methylsulfanyl)ethylmalate
3-(2-methylthioethyl)malate(2-)
3-carboxylato-3,4-dideoxy-5-S-methyl-5-thiopentonate

seed.compound:cpd17402
seedM:cpd17402
UZRMQJKPFRLIDG-UHFFFAOYSA-L 		3-(2'-Methylthio)ethylmalate
3-(2'-Methylthio)ethylmalic acid
3-(2'-methylthio)ethylmalic-acid
3-[(2'-methylsulfanyl)ethyl]malate
3-[(2'-methylsulfanyl)ethyl]malic acid

CHEBI:80963
chebi:80963
kegg.compound:C17212
keggC:C17212
UZRMQJKPFRLIDG-UHFFFAOYSA-N 		3-(2'-Methylthio)ethylmalic acid
3-(2'-Methylthio)ethylmalate

CHEBI:134533
chebi:134533
UZRMQJKPFRLIDG-UHFFFAOYSA-N 		3-(2-methylthioethyl)malic acid
3-carboxy-3,4-dideoxy-5-S-methyl-5-thiopentonic acid

metacyc.compound:3-2-METHYLTHIOETHYLMALIC-ACID
metacycM:3-2-METHYLTHIOETHYLMALIC-ACID
UZRMQJKPFRLIDG-UHFFFAOYSA-L 		3-[(2'-methylsulfanyl)ethyl]malate
3-[(2'-methylsulfanyl)ethyl]malic acid

keggC:M_C17212
seedM:M_cpd17402 		secondary/obsolete/fantasy identifier