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CHEBI:219819 - Parabactin

ChEBI IDCHEBI:219819
ChEBI NameParabactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N4O9
Net Charge0
Average Mass620.659
Monoisotopic Mass620.24823
SMILESC[C@H]1OC(c2ccccc2O)=N[C@@H]1C(=O)N(CCCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C32H36N4O9/c1-19-26(35-31(45-19)20-9-2-3-12-23(20)37)32(44)36(18-8-16-34-30(43)22-11-7-14-25(39)28(22)41)17-5-4-15-33-29(42)21-10-6-13-24(38)27(21)40/h2-3,6-7,9-14,19,26,37-41H,4-5,8,15-18H2,1H3,(H,33,42)(H,34,43)/t19-,26+/m1/s1
InChIKeyFRCJDPPXHQGEKS-BCHFMIIMSA-N
Species of MetaboliteComponentSourceComments
Paracoccus (ncbitaxon:265) - DOI (10.1016/S0040-4039(01)86717-4)
ChEBI Ontology
Outgoing Relation(s)
Parabactin (CHEBI:219819) is a salicylamides (CHEBI:53443)
IUPAC Name 
(4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
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20129566ChemSpider