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CHEBI:221956 - Fibrostatin B

ChEBI IDCHEBI:221956
ChEBI NameFibrostatin B
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SubmitterMetaboLights
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FormulaC19H21NO8S
Net Charge0
Average Mass423.443
Monoisotopic Mass423.09879
SMILESCOC1=C(C)C(=O)c2c(cc(OC)c(CSC[C@H](NC(C)=O)C(=O)O)c2O)C1=O
InChIInChI=1S/C19H21NO8S/c1-8-15(22)14-10(17(24)18(8)28-4)5-13(27-3)11(16(14)23)6-29-7-12(19(25)26)20-9(2)21/h5,12,23H,6-7H2,1-4H3,(H,20,21)(H,25,26)/t12-/m0/s1
InChIKeyDGYGIAQKHJSFNM-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2824420)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fibrostatin B (CHEBI:221956) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
Manual XrefsDatabases
50802ChemSpider