PAX9
AlkaPlorer ID: AK033983
Synonym: None
IUPAC Name: (Z,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-hydroxyhexadec-9-enamide
Structure
SMILES: CCCCCC/C=C\CCCCC[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/C54H103N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-24-39(70)37-46(71)63-38-47(72)64-41(30-23-36-62-54(59)60)49(74)66-45-29-17-22-35-61-48(73)40(25-13-18-31-55)65-50(75)42(26-14-19-32-56)67-51(76)43(27-15-20-33-57)68-52(77)44(69-53(45)78)28-16-21-34-58/h7-8,39-45,70H,2-6,9-38,55-58H2,1H3,(H,61,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,62)/b8-7-/t39-,40+,41+,42-,43-,44+,45-/m1/s1
InChIKey: OMDQQPKXUMWXIB-FKTLCOADSA-N
Reference
Structure elucidation and biosynthesis of lysine-rich cyclic peptides in Xenorhabdus nematophila
PubChem CID: 53382322
LOTUS: LTS0137528
{NPAtlas: NPA001552
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus nematophila | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1106.5139999999992
TPSA？: 446.93000000000006
MolLogP？: 7.041270000000013
Number of H-Donors: 16
Number of H-Acceptors: 14
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|