2-[(7'-methylsulfanyl)heptyl]malate

Chemical Formula:

C₁₂H₂₀O₅S

Molecular Weight:

276.347 Daltons

Monoisotopic Mass:

278.1187945067 Daltons

SMILES:

CSCCCCCCCC(O)(CC([O-])=O)C(=O)[O-]

InChI:

1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)/p-2

InChIKey:

PWAKELUEEHWVFQ-UHFFFAOYSA-L

Synonyms

Databases

MetaCyc: CPDQT-35

PubChem (CID): 44237389

KNApSAcK: C00007650

Seed: cpd17420

ChEBI: 80975

MetaNetX: MNXM5450

KEGG: C17230