EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188083 - CAY10648

ChEBI IDCHEBI:188083
ChEBI NameCAY10648
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19ClN2O4
Net Charge0
Average Mass350.802
Monoisotopic Mass350.10333
SMILESCC(C)(C)OC(=O)CN1C(=O)C2(CCNC2=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2O4/c1-16(2,3)24-13(21)9-20-12-5-4-10(18)8-11(12)17(15(20)23)6-7-19-14(17)22/h4-5,8H,6-7,9H2,1-3H3,(H,19,22)
InChIKeyFXDFCQKNBUKFLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
CAY10648 (CHEBI:188083) is a peptide (CHEBI:16670)
IUPAC Name 
tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,3'-pyrrolidine]-1-yl)acetate
Manual XrefsDatabases
26458070ChemSpider