Petrobactin; 2'-Sulfo
AlkaPlorer ID: AK060349
Synonym: Petrobactin sulfonate
IUPAC Name: 2-[2-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylamino]butylamino]-2-oxoethyl]-4-[4-[3-[(3,4-dihydroxy-2-sulfobenzoyl)amino]propylamino]butylamino]-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: O=C(CC(O)(CC(=O)NCCCCNCCCNC(=O)C1=CC=C(O)C(O)=C1S(=O)(=O)O)C(=O)O)NCCCCNCCCNC(=O)C1=CC=C(O)C(O)=C1
InChI: InChI=1S/C34H50N6O14S/c41-24-9-7-22(19-26(24)43)31(47)39-17-5-13-35-11-1-3-15-37-27(44)20-34(51,33(49)50)21-28(45)38-16-4-2-12-36-14-6-18-40-32(48)23-8-10-25(42)29(46)30(23)55(52,53)54/h7-10,19,35-36,41-43,46,51H,1-6,11-18,20-21H2,(H,37,44)(H,38,45)(H,39,47)(H,40,48)(H,49,50)(H,52,53,54)
InChIKey: QBIVVKGXMPVSSY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Marinobacter | Marinobacteraceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 798.8689999999997
TPSA？: 333.28
MolLogP？: -0.7363999999999944
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|