LPS
Summary
| Name: | O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE |
| Synonyms: | LYSOPHOSPHOTIDYLSERINE |
| Formula: | C21 H44 N O9 P |
| Formal charge: | 0 |
| Formula weight: | 485.549 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | O-[(R)-hydroxy{[(2R)-2-hydroxy-3-{[(1R)-1-hydroxypentadecyl]oxy}propyl]oxy}phosphoryl]-L-serine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(1-hydroxypentadecoxy)propoxy]phosphoryl]oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)COP(=O)(OCC(O)COC(O)CCCCCCCCCCCCCC)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCC[C@H](O)OC[C@@H](O)CO[P@@](O)(=O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCC[CH](O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(O)OCC(COP(=O)(O)OCC(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1 |
| InChIKey | InChI | 1.03 | RPZLJDFLPRHXGM-HSALFYBXSA-N |
