CHEBI:80976 - 3-(7'-Methylthio)heptylmalic acid

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ChEBI Name 3-(7'-Methylthio)heptylmalic acid
ChEBI ID CHEBI:80976
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H22O5S
Net Charge 0
Average Mass 278.36500
Monoisotopic Mass 278.11879
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)
InChIKey SXLJFGXGVBWOOB-UHFFFAOYSA-N
SMILES CSCCCCCCCC(C(O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-(7'-Methylthio)heptylmalic acid (CHEBI:80976) is a dicarboxylic acid (CHEBI:35692)
Synonym Source
3-(7'-Methylthio)heptylmalate KEGG COMPOUND
Manual Xref Database
C17231 KEGG COMPOUND
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