PAX8
AlkaPlorer ID: AK058957
Synonym: None
IUPAC Name: (3R)-N-[2-[[(2S)-6-amino-1-oxo-1-[[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxyoctadecanamide
Structure
SMILES: CCCCCCCCCCCCCCC[C@@H](O)CC(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H]1CCCCN=C(O)[C@H](CCCCN)N=C(O)[C@@H](CCCCN)N=C(O)[C@@H](CCCCN)N=C(O)[C@H](CCCCN)N=C1O
InChI: InChI=1S/C56H109N13O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-42(70)40-49(71)63-41-50(72)64-44(29-16-22-35-58)52(74)66-48-33-20-26-39-62-51(73)43(28-15-21-34-57)65-53(75)45(30-17-23-36-59)67-54(76)46(31-18-24-37-60)68-55(77)47(69-56(48)78)32-19-25-38-61/h42-48,70H,2-41,57-61H2,1H3,(H,62,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)/t42-,43+,44+,45-,46-,47+,48-/m1/s1
InChIKey: XXSUSIVMMVAIAZ-PFDCQGBYSA-N
Reference
Structure elucidation and biosynthesis of lysine-rich cyclic peptides in Xenorhabdus nematophila
PubChem CID: 53382257
LOTUS: LTS0101895
{NPAtlas: NPA010803
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus nematophila | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1108.5699999999993
TPSA？: 411.05000000000007
MolLogP？: 8.911200000000013
Number of H-Donors: 14
Number of H-Acceptors: 14
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|