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| Ligand Name: 1,2-diheptanoyl-sn-glycero-3-phosphocholine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1312 |
PubChem:
181611
|
Synonym(s):
- (4s,7r)-7-(heptanoyloxy)-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide
- diheptanoylphosphatidylcholine
- schembl20840320
- zinc13544783
- 2-[[(2r)-2,3-di(heptanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
- q27467610
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC |
| Standard InChI: InChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/p+1/t20-/m1/s1 |
| Molecular Formula: C22H45NO8P+ |
Mol. Weight: 482.28772 |
logP: 4.222 |
| HBD: 1 | HBA: 7 |
| #Rotatable Bonds: 20 | TPSA: 108.36 |