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CHEBI:221962 - Fibrostatin D

ChEBI IDCHEBI:221962
ChEBI NameFibrostatin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO8S
Net Charge0
Average Mass409.416
Monoisotopic Mass409.08314
SMILESCOC1=C(C)C(=O)c2c(cc(O)c(CSC[C@H](NC(C)=O)C(=O)O)c2O)C1=O
InChIInChI=1S/C18H19NO8S/c1-7-14(22)13-9(16(24)17(7)27-3)4-12(21)10(15(13)23)5-28-6-11(18(25)26)19-8(2)20/h4,11,21,23H,5-6H2,1-3H3,(H,19,20)(H,25,26)/t11-/m0/s1
InChIKeyUJIIOEFFGQEVBT-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 D (CHEBI:221962) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-[(1,3-dihydroxy-6-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
Manual XrefsDatabases
21248045ChemSpider