In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AC9 |
---|---|
Common Name | PI-Cer(d14:1(4E)/11:0) |
Systematic Name | N-(undecanoyl)-4E-tetradecasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C31H60NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | BTVAXQQPIOLBCI-JCQUPKJNSA-N |
InChI | InChI=1S/C31H60NO11P/c1-3-5-7-9-11-13-14-16-18-20-24(33)23(32-25(34)21-19-17-15- 12-10-8-6-4-2)22-42-44(40,41)43-31-29(38)27(36)26(35)28(37)30(31)39/h18,20,23-24 ,26-31,33,35-39H,3-17,19,21-22H2,1-2H3,(H,32,34)(H,40,41)/b20-18+/t23-,24+,26?,2 7+,28?,29?,30?,31+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCCC)=O)[C@]([H])( O)/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |