In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039BYZ |
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Common Name | PI-Cer(d18:1(8E)/10:0) |
Systematic Name | N-(decanoyl)-8E-sphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C34H66NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | UNLCRORIJJTYRB-YPVPQDJMSA-N |
InChI | InChI=1S/C34H66NO11P/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-27(36)26(35-28(37) 24-22-20-17-10-8-6-4-2)25-45-47(43,44)46-34-32(41)30(39)29(38)31(40)33(34)42/h15 -16,26-27,29-34,36,38-42H,3-14,17-25H2,1-2H3,(H,35,37)(H,43,44)/b16-15+/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(CCCCCCCCC)=O)[C@]([H])(O )CCCC/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |