Marinobactins; Marinobactin A
AlkaPlorer ID: AK305260
Synonym: None
IUPAC Name: 5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[2-[[8-(dodecanoylamino)-7-hydroxy-6,9-dioxo-1,5-diazonane-2-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCCCCCCCC(O)=NC1C(O)=NC(C(O)=NC(CO)C(O)=NC(CCCN(O)C(C)=O)C(O)=NC(CO)C(O)=NC(CCCN(O)C(C)=O)C(=O)O)CCN=C(O)C1O
InChI: InChI=1S/C40H69N9O16/c1-4-5-6-7-8-9-10-11-12-17-31(54)47-32-33(55)39(61)41-19-18-27(43-38(32)60)35(57)46-29(22-50)36(58)42-26(15-13-20-48(64)24(2)52)34(56)45-30(23-51)37(59)44-28(40(62)63)16-14-21-49(65)25(3)53/h26-30,32-33,50-51,55,64-65H,4-23H2,1-3H3,(H,41,61)(H,42,58)(H,43,60)(H,44,59)(H,45,56)(H,46,57)(H,47,54)(H,62,63)
InChIKey: CTWDNRFAUYCIDX-UHFFFAOYSA-N
Reference
Self-Assembling Amphiphilic Siderophores from Marine Bacteria
PubChem CID: 139586024
LOTUS: LTS0158359
COCONUT: CNP0352349.1
{NPAtlas: NPA010565
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marinobacter sp. | Marinobacter | Marinobacteraceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 932.039
TPSA？: 407.2000000000001
MolLogP？: 2.6840000000000086
Number of H-Donors: 13
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|