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CHEBI:41329 - 2-THIOMETHYL-3-PHENYLPROPANOIC ACID

Default Structure
ChEBI IDCHEBI:41329
ChEBI Name2-THIOMETHYL-3-PHENYLPROPANOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC10H12O2S
Net Charge0
Average Mass196.271
Monoisotopic Mass196.05580
SMILES[H]OC(=O)[C@@]([H])(C([H])([H])S[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1
InChIKeyZUEBVBPVXLQMQR-SECBINFHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-THIOMETHYL-3-PHENYLPROPANOIC ACID (CHEBI:41329) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-benzyl-3-sulfanylpropanoic acidPDBeChem
2-THIOMETHYL-3-PHENYLPROPANOIC ACIDPDBeChem
Manual XrefsDatabases
BTPPDBeChem