In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039B7R |
---|---|
Common Name | PI-Cer(d19:0/12:0) |
Systematic Name | N-(dodecanoyl)-nonadecasphinganine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C37H74NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | HRMSVWFFJSNNMO-SIHCMTBYSA-N |
InChI | InChI=1S/C37H74NO11P/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-30(39)29(38-31( 40)27-25-23-21-18-12-10-8-6-4-2)28-48-50(46,47)49-37-35(44)33(42)32(41)34(43)36( 37)45/h29-30,32-37,39,41-45H,3-28H2,1-2H3,(H,38,40)(H,46,47)/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(CCCCCCCCCCC)=O)[C@]([H]) (O)CCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |