JBIR-69 (CHEBI:217871)

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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	JBIR-69

ChEBI ID	CHEBI:217871

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H21NO7S

Net Charge

Average Mass

335.370

Monoisotopic Mass

335.10387

InChI

InChI=1S/C13H21NO7S/c1-6(2)9(10(16)12(19)21-4)13(20)22-5-8(11(17)18)14-7(3)15/h6,8-10,16H,5H2,1-4H3,(H,14,15)(H,17,18)/t8-,9-,10+/m0/s1

InChIKey

WSFRAWUTQCKTIT-LPEHRKFASA-N

SMILES

S(C(=O)[C@H]([C@@H](O)C(=O)OC)C(C)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 )

ChEBI Ontology
Outgoing	JBIR-69 (CHEBI:217871) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-[(2S,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]sulanylpropanoic acid