General Information of the Compound
| Compound ID |
CP0420452
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-[3-[(Z)-hexadec-9-enoyl]oxypropoxy-hydroxyphosphoryl]oxypropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H42NO8P
|
||||||||||||||||||
| Molecular Weight |
479.551
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC\C=C/CCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H42NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)29-17-15-18-30-32(27,28)31-19-20(23)22(25)26/h7-8,20H,2-6,9-19,23H2,1H3,(H,25,26)(H,27,28)/b8-7-/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZDMDSMYEOVSIH-AQWUKCDYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound