Topostin B-553
AlkaPlorer ID: AK049269
Synonym: None
IUPAC Name: 2-[[(3R)-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetic acid
Structure
SMILES: CCCCCCCCCCCCC[C@H](CC(O)=NCC(=O)O)OC(=O)CCCCCCCCCCCC(C)C
InChI: InChI=1S/C33H63NO5/c1-4-5-6-7-8-9-10-13-16-19-22-25-30(27-31(35)34-28-32(36)37)39-33(38)26-23-20-17-14-11-12-15-18-21-24-29(2)3/h29-30H,4-28H2,1-3H3,(H,34,35)(H,36,37)/t30-/m1/s1
InChIKey: HGZNYJPHHPDUFK-SSEXGKCCSA-N
Reference
Structures of topostins, DNA topoisomerase I inhibitors of bacterial origin
PubChem CID: 10347618
LOTUS: LTS0155509
SuperNatural Ⅲ: SN0125345-01
{NPAtlas: NPA003058
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Aeromonadaceae | Aeromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 553.8690000000006
TPSA？: 96.19
MolLogP？: 9.977599999999995
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|