Ochrobactin B
AlkaPlorer ID: AK327058
Synonym: None
IUPAC Name: 2-[2-[[(1S)-1-carboxy-5-[[(E)-dec-2-enoyl]-hydroxyamino]pentyl]amino]-2-oxoethyl]-4-[[(1S)-1-carboxy-5-[hydroxy(octanoyl)amino]pentyl]amino]-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: CCCCCCC/C=C/C(=O)N(O)CCCC[C@H](N=C(O)CC(O)(CC(O)=N[C@@H](CCCCN(O)C(=O)CCCCCCC)C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C36H62N4O13/c1-3-5-7-9-10-12-14-22-32(44)40(53)24-18-16-20-28(34(47)48)38-30(42)26-36(51,35(49)50)25-29(41)37-27(33(45)46)19-15-17-23-39(52)31(43)21-13-11-8-6-4-2/h14,22,27-28,51-53H,3-13,15-21,23-26H2,1-2H3,(H,37,41)(H,38,42)(H,45,46)(H,47,48)(H,49,50)/b22-14+/t27-,28-,36?/m0/s1
InChIKey: KZEACDXUQDXNBD-DSWUTSPRSA-N
Reference
Structure and membrane affinity of new amphiphilic siderophores produced by Ochrobactrum sp. SP18
PubChem CID: 134820310
LOTUS: LTS0206192
{NPAtlas: NPA028325
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ochrobactrum sp. SP18 | Ochrobactrum | Brucellaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 758.907
TPSA？: 278.39
MolLogP？: 5.455100000000004
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|