CHEBI:221962 - Fibrostatin D

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ChEBI Name Fibrostatin D
ChEBI ID CHEBI:221962
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H19NO8S
Net Charge 0
Average Mass 409.410
Monoisotopic Mass 409.08314
InChI InChI=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
InChIKey UJIIOEFFGQEVBT-NSHDSACASA-N
SMILES S(CC1=C(O)C=2C(=O)C(=C(OC)C(C2C=C1O)=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 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 Xref Database
21248045 ChemSpider
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