CHEBI:195517 - 5-S-cysteinyldopa zwitterion

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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 5-S-cysteinyldopa zwitterion
ChEBI ID CHEBI:195517
ChEBI ASCII Name 5-S-cysteinyldopa zwitterion
Definition Major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
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Formula C12H16N2O6S
Net Charge 0
Average Mass 316.330
Monoisotopic Mass 316.07291
InChI InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1
InChIKey SXISMOAILJWTID-BQBZGAKWSA-N
SMILES C1(=C(C(=CC(=C1)C[C@@H](C([O-])=O)[NH3+])SC[C@@H](C([O-])=O)[NH3+])O)O
ChEBI Ontology
Outgoing 5-S-cysteinyldopa zwitterion (CHEBI:195517) is a zwitterion (CHEBI:27369)
5-S-cysteinyldopa zwitterion (CHEBI:195517) is tautomer of Cysteinyldopa (CHEBI:81392)
Incoming Cysteinyldopa (CHEBI:81392) is tautomer of 5-S-cysteinyldopa zwitterion (CHEBI:195517)
Synonym Source
5-S-cysteinyldopa UniProt
Manual Xref Database
CPD-15154 MetaCyc accession
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Citation Waiting for Citations Type Source
10952395 PubMed citation SUBMITTER