In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039ABG |
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Common Name | PI-Cer(d14:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | N-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-tetradecasphinganine-1-phospho-(1'-myo- inositol) |
Synonyms | - |
Exact Mass | |
Formula | C38H68NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | PZSHQQOESSDWPP-OTOATHPCSA-N |
InChI | InChI=1S/C38H68NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(41)39-30( 31(40)27-25-23-21-19-12-10-8-6-4-2)29-49-51(47,48)50-38-36(45)34(43)33(42)35(44) 37(38)46/h5,7,11,13,15-16,18,20,30-31,33-38,40,42-46H,3-4,6,8-10,12,14,17,19,21- 29H2,1-2H3,(H,39,41)(H,47,48)/b7-5-,13-11-,16-15-,20-18-/t30-,31+,33?,34+,35?,36 ?,37?,38+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCC/C=C\C/C=C\C/C=C\C/C =C\CC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |