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CHEBI:221322 - Aeruginosin 766

ChEBI IDCHEBI:221322
ChEBI NameAeruginosin 766
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SubmitterMetaboLights
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FormulaC35H54N6O13
Net Charge0
Average Mass766.846
Monoisotopic Mass766.37489
SMILESCC(C)CC(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(=O)NCCCCN=C(N)N)CC2CC(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)CC21
InChIInChI=1S/C35H54N6O13/c1-16(2)11-20(40-31(49)24(44)12-17-5-7-19(42)8-6-17)32(50)41-21-15-25(53-34-28(47)26(45)27(46)29(54-34)33(51)52)23(43)14-18(21)13-22(41)30(48)38-9-3-4-10-39-35(36)37/h5-8,16,18,20-29,34,42-47H,3-4,9-15H2,1-2H3,(H,38,48)(H,40,49)(H,51,52)(H4,36,37,39)
InChIKeyYFSWUYQJNLOZQP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin 766 (CHEBI:221322) is a leucine derivative (CHEBI:47003)
IUPAC Name 
6-[[2-[4-(diaminomethylideneamino)butylcarbamoyl]-5-hydroxy-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid