CHEBI:172573 - R-138727

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name R-138727
ChEBI ID CHEBI:172573
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20FNO3S
Net Charge 0
Average Mass 349.420
Monoisotopic Mass 349.11479
InChI InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-
InChIKey ZWUQVNSJSJHFPS-XFXZXTDPSA-N
SMILES SC\1CCN(C(C(=O)C2CC2)C=3C(F)=CC=CC3)C/C1=C/C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing R-138727 (CHEBI:172573) is a organofluorine compound (CHEBI:37143)
IUPAC Name
(2Z)-2-[1-[2-cyclopropyl-1-(2-luorophenyl)-2-oxoethyl]-4-sulanylpiperidin-3-ylidene]acetic acid
Manual Xref Database
8580972 ChemSpider
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