CHEBI:149584 - hawkinsin

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ChEBI Name hawkinsin ChEBI ID CHEBI:149584 Definition A cysteine derivative that is cysteine in which the thiol group is substituted by a [2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanediyl group. Hawkinsinuria is an inherited disorder which is characterized by the inability to break down the amino acid tyrosine. This results in the finding of certain metabolites in the urine, such as hawkinsin. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C11H17NO6S Net Charge 0 Average Mass 291.320 Monoisotopic Mass 291.07766 InChI InChI=1S/C11H17NO6S/c12-7(10(16)17)5-19-8-3-6(13)1-2-11(8,18)4-9(14)15/h1-2,6-8,13,18H,3-5,12H2,(H,14,15)(H,16,17) InChIKey SPXVLTDISXZSFM-UHFFFAOYSA-N SMILES S(C1C(O)(C=CC(O)C1)CC(O)=O)CC(N)C(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. Application(s): biomarker A substance used as an indicator of a biological state. View more via ChEBI Ontology ChEBI Ontology Outgoing hawkinsin (CHEBI:149584) has role biomarker (CHEBI:59163) hawkinsin (CHEBI:149584) has role human urinary metabolite (CHEBI:84087) hawkinsin (CHEBI:149584) is a cycloalkene (CHEBI:33643) hawkinsin (CHEBI:149584) is a cysteine derivative (CHEBI:23509) hawkinsin (CHEBI:149584) is a dicarboxylic acid (CHEBI:35692) hawkinsin (CHEBI:149584) is a diol (CHEBI:23824) hawkinsin (CHEBI:149584) is a secondary allylic alcohol (CHEBI:134396) hawkinsin (CHEBI:149584) is a tertiary allylic alcohol (CHEBI:134397) IUPAC Name S-[2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]cysteine Manual Xrefs Databases CPD66-101 MetaCyc FDB022975 FooDB Hawkinsin Wikipedia HMDB0002354 HMDB View more database links Registry Number Type Source 63224-90-8 CAS Registry Number ChemIDplus Citations Types Sources 11073718 PubMed citation Europe PMC 20677779 PubMed citation Europe PMC 27488560 PubMed citation Europe PMC 701419 PubMed citation Europe PMC 719903 PubMed citation Europe PMC 858207 PubMed citation Europe PMC Last Modified 15 May 2020