Fibrostatin A (CHEBI:221950)

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CHEBI:221950 - Fibrostatin A

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ChEBI ID	CHEBI:221950
ChEBI Name	Fibrostatin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H19NO7S
Net Charge	0
Average Mass	393.417
Monoisotopic Mass	393.08822
SMILES	COc1cc2c(c(O)c1CSC[C@H](NC(C)=O)C(=O)O)C(=O)C(C)=CC2=O
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

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (2824420)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
50798	ChemSpider