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CHEBI:223021 - Nitrosporeusine A

ChEBI IDCHEBI:223021
ChEBI NameNitrosporeusine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H13NO5S
Net Charge0
Average Mass307.327
Monoisotopic Mass307.05144
SMILESO=C(S[C@@]12CC[C@H](O)[C@@H]1C(=O)NC2=O)c1ccc(O)cc1
InChIInChI=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
InChIKeyNVPUUGMGKVACBE-RBZYPMLTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces nitrosporeus (ncbitaxon:28894) - PubMed (24090410)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
29784984ChemSpider