CHEBI:90001 - cystathionine ketimine

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ChEBI Name cystathionine ketimine ChEBI ID CHEBI:90001 Definition A 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid that has R-configuration. It is cyclic sulfur-containing imino acid detected in bovine brain extracts. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H9NO4S Net Charge 0 Average Mass 203.210 Monoisotopic Mass 203.02523 InChI InChI=1S/C7H9NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m1/s1 InChIKey XJUQJVUYGRTQGI-SCSAIBSYSA-N SMILES OC(=O)[C@H]1CCSCC(=N1)C(O)=O Metabolite of Species Details Rattus norvegicus (NCBI:txid10116) Found in blood serum (BTO:0000133). See: PubMed Homo sapiens (NCBI:txid9606) Found in brain (BTO:0000142). See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Bos taurus (NCBI:txid9913) Found in brain (BTO:0000142). Detected in bovine cerebellum. See: PubMed Roles Classification Chemical Role(s): reactive oxygen species generator Any entity used to generate reactive oxygen species. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). View more via ChEBI Ontology ChEBI Ontology Outgoing cystathionine ketimine (CHEBI:90001) has role human urinary metabolite (CHEBI:84087) cystathionine ketimine (CHEBI:90001) has role mammalian metabolite (CHEBI:75768) cystathionine ketimine (CHEBI:90001) has role rat metabolite (CHEBI:86264) cystathionine ketimine (CHEBI:90001) has role reactive oxygen species generator (CHEBI:70982) cystathionine ketimine (CHEBI:90001) is a 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid (CHEBI:177367) cystathionine ketimine (CHEBI:90001) is a sulfur-containing amino acid (CHEBI:26834) IUPAC Name (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid Synonyms Sources (5R)-1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid ChEBI (R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid ChEBI Manual Xrefs Databases 119692 ChemSpider CPD-16729 MetaCyc FDB022797 FooDB HMDB0002015 HMDB View more database links Registry Number Type Source 87254-95-3 CAS Registry Number ChemIDplus Citations Types Sources 10049498 PubMed citation Europe PMC 10708546 PubMed citation Europe PMC 10954021 PubMed citation Europe PMC 15698597 PubMed citation Europe PMC 22001859 PubMed citation Europe PMC 2213011 PubMed citation Europe PMC 2361849 PubMed citation Europe PMC 2393402 PubMed citation Europe PMC 24190565 PubMed citation Europe PMC 3254164 PubMed citation Europe PMC 4026871 PubMed citation Europe PMC 6878413 PubMed citation Europe PMC 8373176 PubMed citation Europe PMC 8573164 PubMed citation Europe PMC 8713134 PubMed citation Europe PMC 9232634 PubMed citation Europe PMC 9781627 PubMed citation Europe PMC Last Modified 11 August 2021