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CHEBI:208603 - Amonabactin P 750

ChEBI IDCHEBI:208603
ChEBI NameAmonabactin P 750
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46N6O11
Net Charge0
Average Mass750.806
Monoisotopic Mass750.32246
SMILESN[C@@H](CCCCNC(=O)CNC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CCCCNC(=O)c1cccc(O)c1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C37H46N6O11/c38-25(14-4-6-18-39-30(46)21-41-34(50)24-13-9-17-29(45)32(24)48)35(51)42-26(36(52)43-27(37(53)54)20-22-10-2-1-3-11-22)15-5-7-19-40-33(49)23-12-8-16-28(44)31(23)47/h1-3,8-13,16-17,25-27,44-45,47-48H,4-7,14-15,18-21,38H2,(H,39,46)(H,40,49)(H,41,50)(H,42,51)(H,43,52)(H,53,54)/t25-,26-,27-/m0/s1
InChIKeyAQVANOYBWBHIEH-QKDODKLFSA-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 P 750 (CHEBI:208603) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-6-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
78440345ChemSpider