Agrobactin
AlkaPlorer ID: AK077472
Synonym: None
IUPAC Name: (4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Structure
SMILES: C[C@H]1OC(C2=CC=CC(O)=C2O)=N[C@@H]1C(=O)N(CCCCN=C(O)C1=CC=CC(O)=C1O)CCCN=C(O)C1=CC=CC(O)=C1O
InChI: InChI=1S/C32H36N4O10/c1-18-25(35-31(46-18)21-10-6-13-24(39)28(21)42)32(45)36(17-7-15-34-30(44)20-9-5-12-23(38)27(20)41)16-3-2-14-33-29(43)19-8-4-11-22(37)26(19)40/h4-6,8-13,18,25,37-42H,2-3,7,14-17H2,1H3,(H,33,43)(H,34,44)/t18-,25+/m1/s1
InChIKey: BWPMKVHHFNGYEN-CJAUYULYSA-N
Reference
Molecular and crystal structure of the linear tricatechol siderophore, agrobactin
PubChem CID: 172540
LOTUS: LTS0206298
SuperNatural Ⅲ: SN0037475-01
{NPAtlas: NPA018820
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agrobacterium tumefaciens | Agrobacterium | Rhizobiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 636.6580000000005
TPSA？: 228.45999999999995
MolLogP？: 3.462600000000003
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|