Labrenzbactin
AlkaPlorer ID: AK120235
Synonym: None
IUPAC Name: (4S)-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-N-[4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
Structure
SMILES: COC1=CC=CC(C(O)=NCCCCN(CCCN=C(O)C2=CC=CC(O)=C2O)C(=O)[C@@H]2COC(C3=CC=CC(O)=C3O)=N2)=C1O
InChI: InChI=1S/C32H36N4O10/c1-45-25-13-6-9-20(28(25)41)30(43)33-14-2-3-16-36(17-7-15-34-29(42)19-8-4-11-23(37)26(19)39)32(44)22-18-46-31(35-22)21-10-5-12-24(38)27(21)40/h4-6,8-13,22,37-41H,2-3,7,14-18H2,1H3,(H,33,43)(H,34,42)/t22-/m0/s1
InChIKey: PVABLKKBFSBUDV-QFIPXVFZSA-N
Reference
Labrenzbactin from a coral-associated bacterium Labrenzia sp.
PubChem CID: 145720701
LOTUS: LTS0094520
{NPAtlas: NPA024920
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Labrenzia sp. | Labrenzia | Stappiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 636.6580000000002
TPSA？: 217.45999999999995
MolLogP？: 3.3771000000000035
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|