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CHEBI:221943 - Fibrostatin C

ChEBI IDCHEBI:221943
ChEBI NameFibrostatin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO8S
Net Charge0
Average Mass409.416
Monoisotopic Mass409.08314
SMILESCOC1=CC(=O)c2c(cc(OC)c(CSC[C@H](NC(C)=O)C(=O)O)c2O)C1=O
InChIInChI=1S/C18H19NO8S/c1-8(20)19-11(18(24)25)7-28-6-10-13(26-2)4-9-15(17(10)23)12(21)5-14(27-3)16(9)22/h4-5,11,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t11-/m0/s1
InChIKeyPBMJDDQAEYEYKK-NSHDSACASA-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 C (CHEBI:221943) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
Manual XrefsDatabases
50801ChemSpider