P3A
Summary
| Name: | PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL |
| Formula: | C41 H78 O15 P2 |
| Formal charge: | -2 |
| Formula weight: | 872.997 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2,3-dihydroxypropyl (2R,8R)-8-[(9Z)-hexadec-9-enoyloxy]-2-hydroxy-5,5-dioxido-11-oxo-4,6,10-trioxa-5-phosphahexacos-1-yl phosphate (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-oxido-phosphoryl]oxy-2-hydroxy-propyl] [(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxy-propyl] phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(COP([O-])(=O)OCC(O)COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C41H80O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(45)51-35-39(56-41(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-55-58(49,50)54-34-38(44)33-53-57(47,48)52-32-37(43)31-42/h14,16,37-39,42-44H,3-13,15,17-36H2,1-2H3,(H,47,48)(H,49,50)/p-2/b16-14-/t37-,38+,39+/m0/s1 |
| InChIKey | InChI | 1.03 | LXWNXFZWWXODAH-XOLIOQKMSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCCC |
