In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039BV3 |
---|---|
Common Name | PI-Cer(d18:1(4E)/10:0) |
Systematic Name | N-(decanoyl)-4E-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 | DKRKUJKFGCCITA-INZROJMNSA-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/h21 ,23,26-27,29-34,36,38-42H,3-20,22,24-25H2,1-2H3,(H,35,37)(H,43,44)/b23-21+/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 )/C=C/CCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |