PAX13
AlkaPlorer ID: AK036138
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-hydroxyoctadec-11-enamide
Structure
SMILES: CCCCCC/C=C\CCCCCCC[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/C56H107N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-41(72)39-48(73)65-40-49(74)66-43(32-25-38-64-56(61)62)51(76)68-47-31-19-24-37-63-50(75)42(27-15-20-33-57)67-52(77)44(28-16-21-34-58)69-53(78)45(29-17-22-35-59)70-54(79)46(71-55(47)80)30-18-23-36-60/h7-8,41-47,72H,2-6,9-40,57-60H2,1H3,(H,63,75)(H,65,73)(H,66,74)(H,67,77)(H,68,76)(H,69,78)(H,70,79)(H,71,80)(H4,61,62,64)/b8-7-/t41-,42+,43+,44-,45-,46+,47-/m1/s1
InChIKey: BSWPZXOZFPBKDQ-VHFBKICUSA-N
Reference
Structure elucidation and biosynthesis of lysine-rich cyclic peptides in Xenorhabdus nematophila
PubChem CID: 53382437
LOTUS: LTS0256917
{NPAtlas: NPA001716
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus nematophila | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1134.5679999999993
TPSA？: 446.93000000000006
MolLogP？: 7.821470000000015
Number of H-Donors: 16
Number of H-Acceptors: 14
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|