CHEBI:221977 - Fibrostatin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fibrostatin F
ChEBI ID CHEBI:221977
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H21NO9S
Net Charge 0
Average Mass 439.440
Monoisotopic Mass 439.09370
InChI InChI=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
InChIKey PGMKDNCWQLCJOK-LBPRGKRZSA-N
SMILES S(CC1=C(O)C=2C(=O)C(=C(OC)C(C2C=C1OC)=O)CO)C[C@H](NC(=O)C)C(=O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
50800 ChemSpider
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