G8C
1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine
Created: | 2020-08-05 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 73 |
Chiral Atom Count | 1 |
Bond Count | 72 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | 1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine |
Systematic Name (OpenEye OEToolkits) | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate |
Formula | C21 H42 N O8 P |
Molecular Weight | 467.534 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC |
Canonical SMILES | CACTVS | 3.385 | CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | UNACBKDVIYEXSL-LJQANCHMSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 9546804, 136212559 |