Vibriobactin
AlkaPlorer ID: AK317617
Synonym: None
IUPAC Name: N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Structure
SMILES: CC1OC(C2=CC=CC(O)=C2O)=NC1C(=O)NCCCN(CCCNC(=O)C1=CC=CC(O)=C1O)C(=O)C1N=C(C2=CC=CC(O)=C2O)OC1C
InChI: InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)
InChIKey: LLMKLMMXMOTPRU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vibrio cholerae | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 705.7210000000003
TPSA？: 243.07
MolLogP？: 1.8431999999999984
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Growth zone | 0.0 | mM | 10.1021/jm00122a013 |
| Vibrio cholerae | Vibrio cholerae | Growth zone | 0.0 | mM | 10.1021/jm00122a013 |
| Vibrio cholerae | Vibrio cholerae | Growth zone | 32.0 | mM | 10.1021/jm00122a013 |
| Vibrio cholerae | Vibrio cholerae | Growth zone | nan | None | 10.1021/jm00122a013 |