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CHEBI:229899 - {1-[(1s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl}acetic acid

ChEBI IDCHEBI:229899
ChEBI Name{1-[(1s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18ClNO4S
Net Charge0
Average Mass355.843
Monoisotopic Mass355.06451
SMILESCOC(=O)[C@H](c1ccccc1Cl)N1CCC(S)=C(CC(=O)O)C1
InChIInChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,15,23H,6-9H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyCXPJTQJWJQRBOF-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
{1-[(1s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl}acetic acid (CHEBI:229899) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulanyl-3,6-dihydro-2H-pyridin-5-yl]acetic acid
Manual XrefsDatabases
59695374ChemSpider