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CHEBI:218566 - Mirubactin

ChEBI IDCHEBI:218566
ChEBI NameMirubactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N6O11
Net Charge0
Average Mass604.573
Monoisotopic Mass604.21291
SMILESNC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@H](CCCN(C=O)OC(=O)c1cccc(O)c1O)C(=O)O
InChIInChI=1S/C26H32N6O11/c27-26(28)29-11-3-7-16(30-22(38)14-5-1-9-18(34)20(14)36)23(39)31-17(24(40)41)8-4-12-32(13-33)43-25(42)15-6-2-10-19(35)21(15)37/h1-2,5-6,9-10,13,16-17,34-37H,3-4,7-8,11-12H2,(H,30,38)(H,31,39)(H,40,41)(H4,27,28,29)/t16-,17-/m1/s1
InChIKeyJANBVBCLMZUUHR-IAGOWNOFSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema mirum (ncbitaxon:40567) - PubMed (22578145)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mirubactin (CHEBI:218566) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-5-[(2,3-dihydroxybenzoyl)oxy-ormylamino]pentanoic acid
Manual XrefsDatabases
78440503ChemSpider