| SpectraBase Spectrum ID |
5bVAE70Mh5r |
| Name |
1,2-Dipalmitoyl-sn-glycero-3-thionophosphorylcholine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
749.539312085 u |
| Formula |
C40H80NO7PS |
| InChI |
InChI=1S/C40H80NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)45-36-38(37-47-49(44,50)46-35-34-41(3,4)5)48-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3 |
| InChIKey |
VXHCVGMABXCXTI-UHFFFAOYSA-N |
| Molecular Weight |
750.114 g/mol |
| SMILES |
C(C(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)OP(=S)([O-])OCC[N+](C)(C)C |
