Heterobactin A; N2-Deacyl
AlkaPlorer ID: AK300245
Synonym: Heterobactin B
IUPAC Name: None
Structure
SMILES: N/C(=N\C(=O)C1=CC=CC(O)=C1O)NCCCC(N)C(=O)NCC(=O)NC1CCCN(O)C1=O
InChI: InChI=1S/C20H29N7O7/c21-12(18(32)24-10-15(29)25-13-6-3-9-27(34)19(13)33)5-2-8-23-20(22)26-17(31)11-4-1-7-14(28)16(11)30/h1,4,7,12-13,28,30,34H,2-3,5-6,8-10,21H2,(H,24,32)(H,25,29)(H3,22,23,26,31)
InChIKey: UOBVKVWRBWVXSP-UHFFFAOYSA-N
Reference
CAS: 363624-57-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodococcus erythropolis | Rhodococcus | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 479.49400000000026
TPSA？: 232.7
MolLogP？: -2.1375999999999955
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|