3-carboxy-9-(methylsulfanyl)-2-oxononanoate

3-carboxy-9-(methylsulfanyl)-2-oxononanoate




Chemical Formula:
C11H16O5S
Molecular Weight:
260.304 Daltons
Monoisotopic Mass:
262.0874943783 Daltons
SMILES:
CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
InChI:
1S/C11H18O5S/c1-17-7-5-3-2-4-6-8(10(13)14)9(12)11(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16)/p-2
InChIKey:
PBYOKOGRHHZTHQ-UHFFFAOYSA-L

Synonyms
  • 3-carboxy-9-(methylthio)-2-oxononanoate

Databases
MetaCyc:  CPD-19488
PubChem (CID):  123131572
MetaNetX:  MNXM164248