CHEBI:221950 - Fibrostatin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 A
ChEBI ID CHEBI:221950
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H19NO7S
Net Charge 0
Average Mass 393.410
Monoisotopic Mass 393.08822
InChI InChI=1S/C18H19NO7S/c1-8-4-13(21)10-5-14(26-3)11(17(23)15(10)16(8)22)6-27-7-12(18(24)25)19-9(2)20/h4-5,12,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t12-/m0/s1
InChIKey FDDCAZRCTMQKHP-LBPRGKRZSA-N
SMILES S(CC1=C(O)C=2C(=O)C(=CC(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 A (CHEBI:221950) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name
(2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
Manual Xref Database
50798 ChemSpider
View more database links