Serobactin A; N-Deacyl, N-dodecanoyl
AlkaPlorer ID: AK313411
Synonym: Serobactin B
IUPAC Name: 4-[[1-[[1-carboxy-1-hydroxy-3-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(dodecanoylamino)-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: CCCCCCCCCCCC(O)=NC(C(O)=NC(CO)C(O)=NC(C(O)=NC(C(O)=NC(CO)C(O)=NC1CCCN(O)C1=O)C(C)O)C(O)C(=O)O)C(O)C(=O)O
InChI: InChI=1S/C35H59N7O17/c1-3-4-5-6-7-8-9-10-11-14-22(46)39-24(26(47)34(55)56)31(52)38-21(17-44)29(50)41-25(27(48)35(57)58)32(53)40-23(18(2)45)30(51)37-20(16-43)28(49)36-19-13-12-15-42(59)33(19)54/h18-21,23-27,43-45,47-48,59H,3-17H2,1-2H3,(H,36,49)(H,37,51)(H,38,52)(H,39,46)(H,40,53)(H,41,50)(H,55,56)(H,57,58)
InChIKey: LQPRYCPJOYXBHP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Herbaspirillum seropedicae | Herbaspirillum | Oxalobacteraceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 849.8890000000002
TPSA？: 411.8300000000001
MolLogP？: 0.1259000000000077
Number of H-Donors: 14
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|