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CHEBI:217871 - JBIR-69

ChEBI IDCHEBI:217871
ChEBI NameJBIR-69
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21NO7S
Net Charge0
Average Mass335.378
Monoisotopic Mass335.10387
SMILESCOC(=O)[C@H](O)[C@@H](C(=O)SC[C@H](NC(C)=O)C(=O)O)C(C)C
InChIInChI=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
InChIKeyWSFRAWUTQCKTIT-LPEHRKFASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20075978)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
28287294ChemSpider