Petrobactin
AlkaPlorer ID: AK020386
Synonym: None
IUPAC Name: 4-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylamino]butylamino]-2-[2-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylamino]butylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: O=C(O)C(O)(CC(O)=NCCCCNCCCN=C(O)C1=CC=C(O)C(O)=C1)CC(O)=NCCCCNCCCN=C(O)C1=CC=C(O)C(O)=C1
InChI: InChI=1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)
InChIKey: GKIMOVAPSAVJHZ-UHFFFAOYSA-N
Reference
PubChem CID: 11411510
CAS: 545434-89-7
LOTUS: LTS0014256
SuperNatural Ⅲ: SN0108021
COCONUT: CNP0258903
{NPAtlas: NPA010109
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus anthracis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| None | Marinobacter | Marinobacteraceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 718.8050000000001
TPSA？: 292.86999999999995
MolLogP？: 2.847100000000002
Number of H-Donors: 12
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|