In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AGI |
---|---|
Common Name | PE-Cer(d14:1(8E)/16:1(7Z)) |
Systematic Name | N-(7Z-hexadecenoyl)-8E-tetradecasphingenine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C32H63N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | IZDSJCLNZQJXBN-JDECMKOTSA-N |
InChI | InChI=1S/C32H63N2O6P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-32(36)34-30(29-40- 41(37,38)39-28-27-33)31(35)25-23-21-19-17-12-10-8-6-4-2/h12,15-17,30-31,35H,3-11 ,13-14,18-29,33H2,1-2H3,(H,34,36)(H,37,38)/b16-15-,17-12+/t30-,31+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |