Ester Of Phospholipid
AlkaPlorer ID: AK325102
Synonym: None
IUPAC Name: [2-[decyl(hydroxy)phosphoryl]oxy-3-(10-methoxy-10-oxodecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Structure
SMILES: CCCCCCCCCCP(=O)(O)OC(COCCCCCCCCCC(=O)OC)COP(=O)([O-])OCC[N+](C)(C)C
InChI: InChI=1S/C29H61NO10P2/c1-6-7-8-9-10-14-17-20-25-41(32,33)40-28(27-39-42(34,35)38-24-22-30(2,3)4)26-37-23-19-16-13-11-12-15-18-21-29(31)36-5/h28H,6-27H2,1-5H3,(H-,32,33,34,35)
InChIKey: GUBMPMUEZUKTNI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Changium smyrnioides | Changium | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 645.7520000000003
TPSA？: 140.65
MolLogP？: 6.215900000000006
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Lysosomal phospholipase A2 | IC50 | 9750000.0 | nM | 10.1016/S0960-894X(97)00018-8 |
| None | ADMET | Ki | 10000.0 | nM | 10.1016/s0960-894x(99)00035-9 |