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CHEBI:221971 - Fibrostatin E

ChEBI IDCHEBI:221971
ChEBI NameFibrostatin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO8S
Net Charge0
Average Mass409.416
Monoisotopic Mass409.08314
SMILESCOc1cc2c(c(O)c1CSC[C@H](NC(C)=O)C(=O)O)C(=O)C(CO)=CC2=O
InChIInChI=1S/C18H19NO8S/c1-8(21)19-12(18(25)26)7-28-6-11-14(27-2)4-10-13(22)3-9(5-20)16(23)15(10)17(11)24/h3-4,12,20,24H,5-7H2,1-2H3,(H,19,21)(H,25,26)/t12-/m0/s1
InChIKeyXMGJRXDFMZYRQG-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 E (CHEBI:221971) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methylsulanyl]propanoic acid
Manual XrefsDatabases
50799ChemSpider