In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039A88 |
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Common Name | PI-Cer(d16:1(8E)/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-8E-hexadecasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C36H68NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | GDCVBKLIAIWSDE-BGBKSJNUSA-N |
InChI | InChI=1S/C36H68NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(38)28(37-30(39)26-24- 22-20-18-16-14-12-10-8-6-4-2)27-47-49(45,46)48-36-34(43)32(41)31(40)33(42)35(36) 44/h10,12,15,17,28-29,31-36,38,40-44H,3-9,11,13-14,16,18-27H2,1-2H3,(H,37,39)(H, 45,46)/b12-10-,17-15+/t28-,29+,31?,32+,33?,34?,35?,36+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@] ([H])(O)CCCC/C=C/CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |