In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AAJ |
---|---|
Common Name | PI-Cer(d14:0/14:0) |
Systematic Name | N-(tetradecanoyl)-tetradecasphinganine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C34H68NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | DERQQPNRXDLYTM-YITDRLCTSA-N |
InChI | InChI=1S/C34H68NO11P/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(37)35-26(27(36)23-21- 19-17-15-12-10-8-6-4-2)25-45-47(43,44)46-34-32(41)30(39)29(38)31(40)33(34)42/h26 -27,29-34,36,38-42H,3-25H2,1-2H3,(H,35,37)(H,43,44)/t26-,27+,29?,30+,31?,32?,33? ,34+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H ])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |