Showing Metabocard for 3-(9Z-octadecenoyl)-sn-glycero-1-phospho-(1'-sn-glycerol) (BASm0009383)
| Common Name | 3-(9z-octadecenoyl)-sn-glycero-1-phospho-(1'-sn-glycerol) |
|---|---|
| Description | 1-acyl-sn-glycero-3-phosphoglycerol (n-c18:1) belongs to the class of Lysophosphatidylglycerols. These are glycerophosphoglycerols (molecules containing a glycerol moiety attached to the phosphate group linked to a glycerol) in which only one fatty acid is bonded to the 1-glycerol moiety (through an ester linkage). (inferred from compound structure) |
| Structure | |
| Molecular Formula | C24H46O9P |
| Average Mass | 509.59040 |
| Monoisotopic Mass | 509.28794 |
| IUPAC Name | 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9E)-octadec-9-enoate |
| Traditional Name | 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9e)-octadec-9-enoate |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)CO |
| InChI Identifier | InChI=1S/C24H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30)/p-1/b10-9+ |
| InChI Key | FQQQKGAFQIIGLQ-MDZDMXLPSA-M |
| CHEBI ID | CHEBI:139152 |
| State | Not Available |
| Water Solubility | 2.70e-03 g/l |
| logP | 4.30 |
| logS | -5.29 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 6 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 145.58 Ų |
| Rotatable Bond Count | 25 |
| Physiological Charge | Not Available |
| Formal Charge | -1 |
| Refractivity | 130.91 m³·mol⁻¹ |
| Polarizability | 56.90 |