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CHEBI:203224 - Piscibactin

ChEBI IDCHEBI:203224
ChEBI NamePiscibactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N3O4S3
Net Charge0
Average Mass453.611
Monoisotopic Mass453.08507
SMILESC[C@]1(C(=O)O)CSC(C[C@H](O)[C@@H]2CS[C@H]([C@H]3CSC(c4ccccc4O)=N3)N2)=N1
InChIInChI=1S/C19H23N3O4S3/c1-19(18(25)26)9-29-15(22-19)6-14(24)11-7-28-17(20-11)12-8-27-16(21-12)10-4-2-3-5-13(10)23/h2-5,11-12,14,17,20,23-24H,6-9H2,1H3,(H,25,26)/t11-,12+,14-,17+,19+/m0/s1
InChIKeyIHZPBBLBWDEMKS-PDEVRGGCSA-N
Species of MetaboliteComponentSourceComments
Photobacterium damselae subsp. piscicida (ncbitaxon:38294) - DOI (10.1002/ejoc.201200818)
ChEBI Ontology
Outgoing Relation(s)
Piscibactin (CHEBI:203224) has functional parent α-amino acid (CHEBI:33704)
Piscibactin (CHEBI:203224) is a organonitrogen compound (CHEBI:35352)
Piscibactin (CHEBI:203224) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4S)-2-[(2S)-2-hydroxy-2-[(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]ethyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
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