EPH
Summary
| Name: | L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE |
| Formula: | C39 H68 N O8 P |
| Formal charge: | 0 |
| Formula weight: | 709.933 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-hexadeca-9,12-dienoyloxy]propyl (8E,12E,16E)-octadeca-8,12,16-trienoate |
| OpenEye OEToolkits | 1.5.0 | [(2R)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-hexadeca-9,12-dienoyloxy-propyl] octadeca-8,12,16-trienoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCC/C=C/CC/C=C/CC/C=C/C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC\C=C\CC\C=C\CC\C=C\C)CO[P@@](O)(=O)OCCN |
| SMILES | CACTVS | 3.341 | CCCC=CCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P](O)(=O)OCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCCC=CCCC=CC)COP(=O)(O)OCCN |
| InChI | InChI | 1.03 | InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h3,5,8,10-11,13-14,16,18,20,37H,4,6-7,9,12,15,17,19,21-36,40H2,1-2H3,(H,43,44)/b5-3+,10-8+,13-11?,16-14+,20-18+/t37-/m1/s1 |
| InChIKey | InChI | 1.03 | MABRTXOVHMDVAT-AAEGOEIASA-N |
