CHEBI:221956 - Fibrostatin B

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ChEBI Name Fibrostatin B
ChEBI ID CHEBI:221956
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H21NO8S
Net Charge 0
Average Mass 423.440
Monoisotopic Mass 423.09879
InChI InChI=1S/C19H21NO8S/c1-8-15(22)14-10(17(24)18(8)28-4)5-13(27-3)11(16(14)23)6-29-7-12(19(25)26)20-9(2)21/h5,12,23H,6-7H2,1-4H3,(H,20,21)(H,25,26)/t12-/m0/s1
InChIKey DGYGIAQKHJSFNM-LBPRGKRZSA-N
SMILES S(CC1=C(O)C=2C(=O)C(=C(OC)C(C2C=C1OC)=O)C)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 B (CHEBI:221956) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name
(2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
Manual Xref Database
50802 ChemSpider
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