Molecule

thiomarinol E

AlkaPlorer ID: AK008122

Synonym: '', 'Thiomarinol E', '182155-00-6'

IUPAC Name: [10-oxo-10-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]decyl] (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)OCCCCCCCCCC(O)=NC1=C2SSC=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/C32H48N2O9S2/c1-19(21(3)35)12-11-13-22-17-43-30(29(40)28(22)39)27(38)20(2)16-25(37)42-15-10-8-6-4-5-7-9-14-24(36)34-26-31-23(18-44-45-31)33-32(26)41/h11-12,16,18-19,21-22,27-30,35,38-40H,4-10,13-15,17H2,1-3H3,(H,33,41)(H,34,36)/b12-11+,20-16+/t19-,21+,22+,27-,28-,29-,30+/m1/s1

InChIKey: DIZXGLMCRBSVBM-WCCSBUKDSA-N

Reference

Thiomarinols D, E, F and G, New Hybrid Antimicrobial Antibiotics Produced by a Marine Bacterium;Isolation, Structure, and Antimicrobial Activity.

PubChem CID: 70697854

LOTUS: LTS0109254

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Alteromonadaceae	Alteromonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 668.8750000000003

TPSA？: 182.16

MolLogP？: 5.274200000000009

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi