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CHEBI:221977 - Fibrostatin F

ChEBI IDCHEBI:221977
ChEBI NameFibrostatin F
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SubmitterMetaboLights
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FormulaC19H21NO9S
Net Charge0
Average Mass439.442
Monoisotopic Mass439.09370
SMILESCOC1=C(CO)C(=O)c2c(cc(OC)c(CSC[C@H](NC(C)=O)C(=O)O)c2O)C1=O
InChIInChI=1S/C19H21NO9S/c1-8(22)20-12(19(26)27)7-30-6-11-13(28-2)4-9-14(16(11)24)15(23)10(5-21)18(29-3)17(9)25/h4,12,21,24H,5-7H2,1-3H3,(H,20,22)(H,26,27)/t12-/m0/s1
InChIKeyPGMKDNCWQLCJOK-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 F (CHEBI:221977) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl]methylsulanyl]propanoic acid
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