Tenacibactin B; Me ester
AlkaPlorer ID: AK041796
Synonym: Tenacibactin A
IUPAC Name: methyl 4-[5-[hydroxy(3-methylbutanoyl)amino]pentylamino]-4-oxobutanoate
Structure
SMILES: COC(=O)CCC(=O)NCCCCCN(O)C(=O)CC(C)C
InChI: InChI=1S/C15H28N2O5/c1-12(2)11-14(19)17(21)10-6-4-5-9-16-13(18)7-8-15(20)22-3/h12,21H,4-11H2,1-3H3,(H,16,18)
InChIKey: HXFAPJCUUWBIQZ-UHFFFAOYSA-N
Reference
PubChem CID: 16216278
CAS: 934490-72-9
LOTUS: LTS0053219
SuperNatural Ⅲ: SN0137957
NPASS: NPC128559
COCONUT: CNP0265404
{NPAtlas: NPA015167
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tenacibaculum sp. | Tenacibaculum | Flavobacteriaceae | Flavobacteriales | Flavobacteriia | Bacteroidota | None | Bacteria |
| None | Tenacibaculum | Flavobacteriaceae | Flavobacteriales | Flavobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 316.3980000000001
TPSA？: 95.94
MolLogP？: 1.489999999999999
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | ED50 | 1.0 | mM | 10.1021/np060502b |