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CHEBI:201844 - Amonabactin T 789

ChEBI IDCHEBI:201844
ChEBI NameAmonabactin T 789
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H47N7O11
Net Charge0
Average Mass789.843
Monoisotopic Mass789.33336
SMILESNC(CCCCNC(=O)CNC(=O)c1cccc(O)c1O)C(=O)NC(CCCCNC(=O)c1cccc(O)c1O)C(=O)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C39H47N7O11/c40-26(12-3-5-17-41-32(49)21-44-36(53)25-11-8-16-31(48)34(25)51)37(54)45-28(14-4-6-18-42-35(52)24-10-7-15-30(47)33(24)50)38(55)46-29(39(56)57)19-22-20-43-27-13-2-1-9-23(22)27/h1-2,7-11,13,15-16,20,26,28-29,43,47-48,50-51H,3-6,12,14,17-19,21,40H2,(H,41,49)(H,42,52)(H,44,53)(H,45,54)(H,46,55)(H,56,57)
InChIKeyYQBYSQJGPSBCIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aeromonas hydrophila (ncbitaxon:644) - DOI (10.1021/ja00089a058)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Amonabactin T 789 (CHEBI:201844) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[2-amino-6-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
78444549ChemSpider