Heterobactin A
AlkaPlorer ID: AK328449
Synonym: None
IUPAC Name: N-[5-[(2,3-dihydroxybenzoyl)amino]-1-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]-5-hydroxy-1,3-benzoxazole-4-carboxamide
Structure
SMILES: O=C(CNC(=O)C(CCCNC(=O)C1=CC=CC(O)=C1O)NC(=O)C1=C(O)C=CC2=C1N=CO2)NC1CCCN(O)C1=O
InChI: InChI=1S/C27H30N6O10/c34-17-8-9-19-22(30-13-43-19)21(17)26(40)32-15(5-2-10-28-24(38)14-4-1-7-18(35)23(14)37)25(39)29-12-20(36)31-16-6-3-11-33(42)27(16)41/h1,4,7-9,13,15-16,34-35,37,42H,2-3,5-6,10-12H2,(H,28,38)(H,29,39)(H,31,36)(H,32,40)
InChIKey: GGGBMILSFFINFG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodococcus erythropolis | Rhodococcus | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 598.5690000000001
TPSA？: 243.66
MolLogP？: -0.1341999999999991
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|