Heterobactin A; 4'''-Sulfo
AlkaPlorer ID: AK300247
Synonym: Heterobactin S1
IUPAC Name: None
Structure
SMILES: N/C(=N\C(=O)C1=CC=C(S(=O)(=O)O)C(O)=C1O)NCCCC(NC(=O)C1=CC=CC(O)=C1O)C(=O)NCC(=O)NC1CCCN(O)C1=O
InChI: InChI=1S/C27H33N7O13S/c28-27(33-24(41)14-8-9-18(48(45,46)47)22(39)21(14)38)29-10-2-5-15(32-23(40)13-4-1-7-17(35)20(13)37)25(42)30-12-19(36)31-16-6-3-11-34(44)26(16)43/h1,4,7-9,15-16,35,37-39,44H,2-3,5-6,10-12H2,(H,30,42)(H,31,36)(H,32,40)(H,45,46,47)(H3,28,29,33,41)
InChIKey: PQJGWSIFZZTSHI-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodococcus erythropolis | Rhodococcus | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 695.664
TPSA？: 330.61
MolLogP？: -2.0083999999999937
Number of H-Donors: 11
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|