CHEBI:218566 - Mirubactin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mirubactin
ChEBI ID CHEBI:218566
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32N6O11
Net Charge 0
Average Mass 604.573
Monoisotopic Mass 604.21291
InChI InChI=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
InChIKey JANBVBCLMZUUHR-IAGOWNOFSA-N
SMILES O=C(ON(C=O)CCC[C@@H](NC(=O)[C@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCN=C(N)N)C(=O)O)C2=C(O)C(O)=CC=C2
Metabolite of Species Details
Actinosynnema mirum (NCBI:txid40567) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
78440503 ChemSpider
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