CHEBI:189468 - Cp-471358

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Cp-471358
ChEBI ID CHEBI:189468
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23FN2O7S
Net Charge 0
Average Mass 466.480
Monoisotopic Mass 466.12100
InChI InChI=1S/C21H23FN2O7S/c22-15-3-5-16(6-4-15)31-17-7-9-18(10-8-17)32(29,30)24(14-11-19(25)26)21(20(27)23-28)12-1-2-13-21/h3-10,28H,1-2,11-14H2,(H,23,27)(H,25,26)
InChIKey VHHGUBHZBLPTKL-UHFFFAOYSA-N
SMILES S(=O)(=O)(N(C1(CCCC1)C(=O)NO)CCC(O)=O)C2=CC=C(OC3=CC=C(F)C=C3)C=C2
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing Cp-471358 (CHEBI:189468) is a aromatic ether (CHEBI:35618)
IUPAC Name
3-[[4-(4-luorophenoxy)phenyl]sulonyl-[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoic acid
Manual Xref Database
8044833 ChemSpider
View more database links