CHEBI:219599 - Enantiopyochelin

ChEBI IDCHEBI:219599
ChEBI NameEnantiopyochelin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O3S2
Net Charge0
Average Mass324.427
Monoisotopic Mass324.06023
SMILESCN1C([C@@H]2CSC(c3ccccc3O)=N2)SC[C@@H]1C(=O)O
InChIInChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13?/m0/s1
InChIKeyNYBZAGXTZXPYND-RGPRDZHESA-N
Species of MetaboliteComponentSourceComments
Pseudomonas protegens CHA0 (ncbitaxon:1124983) - PubMed (17938167)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Enantiopyochelin (CHEBI:219599) is a D-α-amino acid (CHEBI:16733)
IUPAC Name 
(4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid