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CHEBI:83418 - S-(5-histidyl)cysteine sulfoxide
| Formula | C9H14N4O5S |
| Net Charge | 0 |
| Average Mass | 290.301 |
| Monoisotopic Mass | 290.06849 |
| SMILES | N[C@@H](Cc1ncnc1S(=O)C[C@H](N)C(=O)O)C(=O)O |
| InChI | InChI=1S/C9H14N4O5S/c10-4(8(14)15)1-6-7(13-3-12-6)19(18)2-5(11)9(16)17/h3-5H,1-2,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t4-,5-,19?/m0/s1 |
| InChIKey | CHVJBWUZNCGHCS-VCNVLXLASA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) has role marine metabolite (CHEBI:76507) |
| S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a L-cysteine derivative (CHEBI:83824) |
| S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a L-histidine derivative (CHEBI:84076) |
| S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a sulfoxide (CHEBI:22063) |
| S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is tautomer of S-(5-histidyl)cysteine sulfoxide dizwitterion (CHEBI:82728) |
| Incoming Relation(s) |
| S-(5-histidyl)cysteine sulfoxide dizwitterion (CHEBI:82728) is tautomer of S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) |
| IUPAC Name |
|---|
| 5-{[(2R)-2-amino-2-carboxyethyl]sulfinyl}-L-histidine |
| Synonym | Source |
|---|---|
| S-(5-L-histidyl)-L-cysteine sulfoxide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:24604972 | Reaxys |
| Citations |
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