Pristionchus pacificus pasa#9 metabolite
AlkaPlorer ID: AK309445
Synonym: None
IUPAC Name: None
Structure
SMILES: CC(CCC(=O)OC(CNC(=O)CCC(=O)NC1=CC=CC=C1C(=O)O)C1=CC=CC=C1)OC1OC(C)C(O)CC1O
InChI: InChI=1S/C30H38N2O10/c1-18(40-30-24(34)16-23(33)19(2)41-30)12-15-28(37)42-25(20-8-4-3-5-9-20)17-31-26(35)13-14-27(36)32-22-11-7-6-10-21(22)29(38)39/h3-11,18-19,23-25,30,33-34H,12-17H2,1-2H3,(H,31,35)(H,32,36)(H,38,39)
InChIKey: NYRDRSRMLLLVFV-UHFFFAOYSA-N
Reference
CAS: 1681061-81-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pristionchus pacificus | Pristionchus | Neodiplogasteridae | Rhabditida | Chromadorea | Nematoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 586.6380000000003
TPSA？: 180.72
MolLogP？: 2.5462
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|