Molecule

Mirubactin

AlkaPlorer ID: AK085549

Synonym: None

IUPAC Name: (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-5-[(2,3-dihydroxybenzoyl)oxy-formylamino]pentanoic acid

Structure

SMILES: N=C(N)NCCC[C@@H](N=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@H](CCCN(C=O)OC(=O)C1=CC=CC(O)=C1O)C(=O)O

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

Reference

Isolation, Structure Elucidation, and Biosynthesis of an Unusual Hydroxamic Acid Ester-Containing Siderophore from <i>Actinosynnema mirum</i>

PubChem CID: 59051490

LOTUS: LTS0077203

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NPAtlas: NPA020099

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Actinosynnema mirum	Actinosynnema	Pseudonocardiaceae	Pseudonocardiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 604.5730000000004

TPSA？: 291.91

MolLogP？: 0.8657700000000006

Number of H-Donors: 10

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi