In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039BE2 |
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Common Name | PI-Cer(d16:2(4E,8E)/15:0) |
Systematic Name | N-(pentadecanoyl)-4E,8E-hexadecasphingadienine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C37H70NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | ATHVGHFEUMIPGJ-VDUZJTNWSA-N |
InChI | InChI=1S/C37H70NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(40)38-29(30(39)26- 24-22-20-18-16-14-12-10-8-6-4-2)28-48-50(46,47)49-37-35(44)33(42)32(41)34(43)36( 37)45/h16,18,24,26,29-30,32-37,39,41-45H,3-15,17,19-23,25,27-28H2,1-2H3,(H,38,40 )(H,46,47)/b18-16+,26-24+/t29-,30+,32?,33+,34?,35?,36?,37+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([ H])(O)/C=C/CC/C=C/CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |