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CHEBI:202158 - Amonabactin T 732

ChEBI IDCHEBI:202158
ChEBI NameAmonabactin T 732
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H44N6O10
Net Charge0
Average Mass732.791
Monoisotopic Mass732.31189
SMILESNC(CCCCNC(=O)c1cccc(O)c1O)C(=O)NC(CCCCNC(=O)c1cccc(O)c1O)C(=O)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C37H44N6O10/c38-25(12-3-5-17-39-33(48)23-10-7-15-29(44)31(23)46)35(50)42-27(14-4-6-18-40-34(49)24-11-8-16-30(45)32(24)47)36(51)43-28(37(52)53)19-21-20-41-26-13-2-1-9-22(21)26/h1-2,7-11,13,15-16,20,25,27-28,41,44-47H,3-6,12,14,17-19,38H2,(H,39,48)(H,40,49)(H,42,50)(H,43,51)(H,52,53)
InChIKeyIJGBGFAIJGTLKQ-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 732 (CHEBI:202158) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[2-amino-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
78444552ChemSpider