thiomarinol B
AlkaPlorer ID: AK051413
Synonym: 'Thiomarinol B', '8-(2,2-dioxido-5-oxo-4,5-dihydro1,2dithiolo4,3-bpyrrol-6-yl)amino-8-oxooctyl (2E,4R)-4-{(2S,3R,4R,5S)-3,4-dihydroxy-5-(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yltetrahydro-2H-pyran-2-yl}-4-hydroxy-3-methylbut-2-enoate', '156098-43-0', 'Thiomarinol B2'
IUPAC Name: [8-oxo-8-[(2,2,5-trioxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
Structure
SMILES: C/C(=C\C(=O)OCCCCCCCC(O)=NC1=C2SS(=O)(=O)C=C2N=C1O)[C@@H](O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C30H44N2O11S2/c1-17(19(3)33)10-9-11-20-15-43-28(27(38)26(20)37)25(36)18(2)14-23(35)42-13-8-6-4-5-7-12-22(34)32-24-29-21(31-30(24)39)16-45(40,41)44-29/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20+,25-,26-,27-,28+/m1/s1
InChIKey: DVQBKROGZULVGL-XVYZEKPJSA-N
Reference
Thiomarinols B and C,New Antimicrobial Antibiotics Produced by a Marine Bacterium.
PubChem CID: 9810000
LOTUS: LTS0094274
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Alteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 672.8190000000003
TPSA？: 215.76999999999995
MolLogP？: 2.933600000000001
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|