CHEBI:223021 - Nitrosporeusine A

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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 Nitrosporeusine A
ChEBI ID CHEBI:223021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H13NO5S
Net Charge 0
Average Mass 307.320
Monoisotopic Mass 307.05144
InChI InChI=1S/C14H13NO5S/c16-8-3-1-7(2-4-8)12(19)21-14-6-5-9(17)10(14)11(18)15-13(14)20/h1-4,9-10,16-17H,5-6H2,(H,15,18,20)/t9-,10+,14-/m0/s1
InChIKey NVPUUGMGKVACBE-RBZYPMLTSA-N
SMILES S(C(=O)C1=CC=C(O)C=C1)[C@]23C(=O)NC([C@H]2[C@@H](O)CC3)=O
Metabolite of Species Details
Streptomyces nitrosporeus (NCBI:txid28894) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Nitrosporeusine A (CHEBI:223021) is a benzoic acids (CHEBI:22723)
IUPAC Name
S-[(3aS,6S,6aR)-6-hydroxy-1,3-dioxo-4,5,6,6a-tetrahydrocyclopenta[c]pyrrol-3a-yl] 4-hydroxybenzenecarbothioate
Manual Xref Database
29784984 ChemSpider
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