PAX12
AlkaPlorer ID: AK058221
Synonym: None
IUPAC Name: (3R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-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]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxyheptadecanamide
Structure
SMILES: CCCCCCCCCCCCCC[C@@H](O)CC(O)=NCC(O)=N[C@@H](CCCNC(=N)N)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/C55H107N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-25-40(71)38-47(72)64-39-48(73)65-42(31-24-37-63-55(60)61)50(75)67-46-30-18-23-36-62-49(74)41(26-14-19-32-56)66-51(76)43(27-15-20-33-57)68-52(77)44(28-16-21-34-58)69-53(78)45(70-54(46)79)29-17-22-35-59/h40-46,71H,2-39,56-59H2,1H3,(H,62,74)(H,64,72)(H,65,73)(H,66,76)(H,67,75)(H,68,77)(H,69,78)(H,70,79)(H4,60,61,63)/t40-,41+,42+,43-,44-,45+,46-/m1/s1
InChIKey: BUDKJEZKTRMYTO-IGGZARBTSA-N
Reference
Structure elucidation and biosynthesis of lysine-rich cyclic peptides in Xenorhabdus nematophila
PubChem CID: 53382381
LOTUS: LTS0025577
{NPAtlas: NPA004076
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus nematophila | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1122.556999999999
TPSA？: 446.93000000000006
MolLogP？: 7.655370000000015
Number of H-Donors: 16
Number of H-Acceptors: 14
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|